5-aminopyridine-2-carbonitrile;2-[(5-amino-2-pyridinyl)methyl-methylamino]ethanol;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]propan-2-one;2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol;5-methylpyridine-2-carbaldehyde;5-methylpyridine-2-carbonitrile;hydrochloride

C85H107Cl3N20O7 — CID 160614623

IUPAC5-aminopyridine-2-carbonitrile;2-[(5-amino-2-pyridinyl)methyl-methylamino]ethanol;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]propan-2-one;2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol;5-methylpyridine-2-carbaldehyde;5-methylpyridine-2-carbonitrile;hydrochloride
SMILESCC(=O)Cc1ccc(CN(C)CCO)nc1.CN(CCO)Cc1ccc(N)cn1.Cc1cc(CCC(=O)Cc2ccc(CN(C)CCO)nc2)n(-c2cccc(Cl)c2)n1.Cc1cc(CN)n(-c2cccc(Cl)c2)n1.Cc1ccc(C#N)nc1.Cc1ccc(C=O)nc1.Cc1ccc(CN(C)CCO)nc1.Cl.N#Cc1ccc(N)cn1
InChIInChI=1S/C23H27ClN4O2.C12H18N2O2.C11H12ClN3.C10H16N2O.C9H15N3O.C7H6N2.C7H7NO.C6H5N3.ClH/c1-17-12-22(28(26-17)21-5-3-4-19(24)14-21)8-9-23(30)13-18-6-7-20(25-15-18)16-27(2)10-11-29;1-10(16)7-11-3-4-12(13-8-11)9-14(2)5-6-15;1-8-5-11(7-13)15(14-8)10-4-2-3-9(12)6-10;1-9-3-4-10(11-7-9)8-12(2)5-6-13;1-12(4-5-13)7-9-3-2-8(10)6-11-9;1-6-2-3-7(4-8)9-5-6;1-6-2-3-7(5-9)8-4-6;7-3-6-2-1-5(8)4-9-6;/h3-7,12,14-15,29H,8-11,13,16H2,1-2H3;3-4,8,15H,5-7,9H2,1-2H3;2-6H,7,13H2,1H3;3-4,7,13H,5-6,8H2,1-2H3;2-3,6,13H,4-5,7,10H2,1H3;2-3,5H,1H3;2-5H,1H3;1-2,4H,8H2;1H
InChIKeySFOZDARCWBJFHT-UHFFFAOYSA-N
MW1627.28 g/mol
LogP10.65
Rot. Bonds27

About 5-aminopyridine-2-carbonitrile;2-[(5-amino-2-pyridinyl)methyl-methylamino]ethanol;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]propan-2-one;2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol;5-methylpyridine-2-carbaldehyde;5-methylpyridine-2-carbonitrile;hydrochloride

5-aminopyridine-2-carbonitrile;2-[(5-amino-2-pyridinyl)methyl-methylamino]ethanol;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]propan-2-one;2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol;5-methylpyridine-2-carbaldehyde;5-methylpyridine-2-carbonitrile;hydrochloride (PubChem CID 160614623) has the molecular formula C85H107Cl3N20O7 and a molecular weight of 1627.28 g/mol. Its IUPAC name is 5-aminopyridine-2-carbonitrile;2-[(5-amino-2-pyridinyl)methyl-methylamino]ethanol;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]propan-2-one;2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol;5-methylpyridine-2-carbaldehyde;5-methylpyridine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name5-aminopyridine-2-carbonitrile;2-[(5-amino-2-pyridinyl)methyl-methylamino]ethanol;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]propan-2-one;2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol;5-methylpyridine-2-carbaldehyde;5-methylpyridine-2-carbonitrile;hydrochloride
PubChem CID160614623
Molecular FormulaC85H107Cl3N20O7
Molecular Weight1627.28 g/mol
Exact Mass1624.77
IUPAC Name5-aminopyridine-2-carbonitrile;2-[(5-amino-2-pyridinyl)methyl-methylamino]ethanol;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]propan-2-one;2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol;5-methylpyridine-2-carbaldehyde;5-methylpyridine-2-carbonitrile;hydrochloride
SMILESCC(=O)Cc1ccc(CN(C)CCO)nc1.CN(CCO)Cc1ccc(N)cn1.Cc1cc(CCC(=O)Cc2ccc(CN(C)CCO)nc2)n(-c2cccc(Cl)c2)n1.Cc1cc(CN)n(-c2cccc(Cl)c2)n1.Cc1ccc(C#N)nc1.Cc1ccc(C=O)nc1.Cc1ccc(CN(C)CCO)nc1.Cl.N#Cc1ccc(N)cn1
InChIInChI=1S/C23H27ClN4O2.C12H18N2O2.C11H12ClN3.C10H16N2O.C9H15N3O.C7H6N2.C7H7NO.C6H5N3.ClH/c1-17-12-22(28(26-17)21-5-3-4-19(24)14-21)8-9-23(30)13-18-6-7-20(25-15-18)16-27(2)10-11-29;1-10(16)7-11-3-4-12(13-8-11)9-14(2)5-6-15;1-8-5-11(7-13)15(14-8)10-4-2-3-9(12)6-10;1-9-3-4-10(11-7-9)8-12(2)5-6-13;1-12(4-5-13)7-9-3-2-8(10)6-11-9;1-6-2-3-7(4-8)9-5-6;1-6-2-3-7(5-9)8-4-6;7-3-6-2-1-5(8)4-9-6;/h3-7,12,14-15,29H,8-11,13,16H2,1-2H3;3-4,8,15H,5-7,9H2,1-2H3;2-6H,7,13H2,1H3;3-4,7,13H,5-6,8H2,1-2H3;2-3,6,13H,4-5,7,10H2,1H3;2-3,5H,1H3;2-5H,1H3;1-2,4H,8H2;1H
InChIKeySFOZDARCWBJFHT-UHFFFAOYSA-N
XLogP10.65
TPSA396.60 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds27
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001627.28
LogP ≤ 510.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-aminopyridine-2-carbonitrile;2-[(5-amino-2-pyridinyl)methyl-methylamino]ethanol;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]propan-2-one;2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol;5-methylpyridine-2-carbaldehyde;5-methylpyridine-2-carbonitrile;hydrochloride with MolForge

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Related Compounds

[2-(3-Chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]pyridine-2-carbonitrile;5-[5-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-oxopentan-2-yl]pyridine-2-carboxamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;2-(6-cyano-3-pyridinyl)propanoic acid;methane;5-(3-oxobutan-2-yl)pyridine-2-carbonitrile
CID 159008588
5-aminopyridine-2-carbonitrile;tert-butyl N-[[5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]-2-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate;tert-butyl N-(2-methoxyethyl)-N-[[5-(2-oxopropyl)-2-pyridinyl]methyl]carbamate;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[(2-hydroxyethylamino)methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-(dibenzylamino)pyridine-2-carbonitrile;6-[(2-methoxyethylamino)methyl]pyridin-3-amine;1-[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]propan-2-one;2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]ethanamine;5-methylpyridine-2-carbaldehyde
CID 159639029
5-Aminopyridine-2-carbonitrile;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;5-[4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile
CID 159739166
5-Aminopyridine-2-carbonitrile;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carbonitrile;5-[4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-oxobutyl]pyridine-2-carboxamide;5-(2-oxopropyl)pyridine-2-carbonitrile
CID 162182265

Frequently Asked Questions

What is the IUPAC name of 5-aminopyridine-2-carbonitrile;2-[(5-amino-2-pyridinyl)methyl-methylamino]ethanol;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]propan-2-one;2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol;5-methylpyridine-2-carbaldehyde;5-methylpyridine-2-carbonitrile;hydrochloride?
The IUPAC name of 5-aminopyridine-2-carbonitrile;2-[(5-amino-2-pyridinyl)methyl-methylamino]ethanol;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]propan-2-one;2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol;5-methylpyridine-2-carbaldehyde;5-methylpyridine-2-carbonitrile;hydrochloride (CID 160614623) is 5-aminopyridine-2-carbonitrile;2-[(5-amino-2-pyridinyl)methyl-methylamino]ethanol;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]propan-2-one;2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol;5-methylpyridine-2-carbaldehyde;5-methylpyridine-2-carbonitrile;hydrochloride.
What is the SMILES notation for 5-aminopyridine-2-carbonitrile;2-[(5-amino-2-pyridinyl)methyl-methylamino]ethanol;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]propan-2-one;2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol;5-methylpyridine-2-carbaldehyde;5-methylpyridine-2-carbonitrile;hydrochloride?
The canonical SMILES for 5-aminopyridine-2-carbonitrile;2-[(5-amino-2-pyridinyl)methyl-methylamino]ethanol;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]propan-2-one;2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol;5-methylpyridine-2-carbaldehyde;5-methylpyridine-2-carbonitrile;hydrochloride is CC(=O)Cc1ccc(CN(C)CCO)nc1.CN(CCO)Cc1ccc(N)cn1.Cc1cc(CCC(=O)Cc2ccc(CN(C)CCO)nc2)n(-c2cccc(Cl)c2)n1.Cc1cc(CN)n(-c2cccc(Cl)c2)n1.Cc1ccc(C#N)nc1.Cc1ccc(C=O)nc1.Cc1ccc(CN(C)CCO)nc1.Cl.N#Cc1ccc(N)cn1.
What is the InChIKey of 5-aminopyridine-2-carbonitrile;2-[(5-amino-2-pyridinyl)methyl-methylamino]ethanol;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]propan-2-one;2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol;5-methylpyridine-2-carbaldehyde;5-methylpyridine-2-carbonitrile;hydrochloride?
The InChIKey is SFOZDARCWBJFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2.C12H18N2O2.C11H12ClN3.C10H16N2O.C9H15N3O.C7H6N2.C7H7NO.C6H5N3.ClH/c1-17-12-22(28(26-17)21-5-3-4-19(24)14-21)8-9-23(30)13-18-6-7-20(25-15-18)16-27(2)10-11-29;1-10(16)7-11-3-4-12(13-8-11)9-14(2)5-6-15;1-8-5-11(7-13)15(14-8)10-4-2-3-9(12)6-10;1-9-3-4-10(11-7-9)8-12(2)5-6-13;1-12(4-5-13)7-9-3-2-8(10)6-11-9;1-6-2-3-7(4-8)9-5-6;1-6-2-3-7(5-9)8-4-6;7-3-6-2-1-5(8)4-9-6;/h3-7,12,14-15,29H,8-11,13,16H2,1-2H3;3-4,8,15H,5-7,9H2,1-2H3;2-6H,7,13H2,1H3;3-4,7,13H,5-6,8H2,1-2H3;2-3,6,13H,4-5,7,10H2,1H3;2-3,5H,1H3;2-5H,1H3;1-2,4H,8H2;1H.
What are the key properties of 5-aminopyridine-2-carbonitrile;2-[(5-amino-2-pyridinyl)methyl-methylamino]ethanol;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]propan-2-one;2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol;5-methylpyridine-2-carbaldehyde;5-methylpyridine-2-carbonitrile;hydrochloride?
5-aminopyridine-2-carbonitrile;2-[(5-amino-2-pyridinyl)methyl-methylamino]ethanol;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]propan-2-one;2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol;5-methylpyridine-2-carbaldehyde;5-methylpyridine-2-carbonitrile;hydrochloride has a molecular weight of 1627.28 g/mol, XLogP of 10.65, 27 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopyridine-2-carbonitrile;2-[(5-amino-2-pyridinyl)methyl-methylamino]ethanol;4-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]butan-2-one;[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]methanamine;1-[6-[[2-hydroxyethyl(methyl)amino]methyl]-3-pyridinyl]propan-2-one;2-[methyl-[(5-methyl-2-pyridinyl)methyl]amino]ethanol;5-methylpyridine-2-carbaldehyde;5-methylpyridine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 160614623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).