6-chloro-N-methylpyridin-2-amine;(3S)-1-cyano-N-methyl-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;2,6-dichloropyridine;N-methyl-6-phenylpyridin-2-amine

C41H40Cl3N9O — CID 159331573

IUPAC6-chloro-N-methylpyridin-2-amine;(3S)-1-cyano-N-methyl-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;2,6-dichloropyridine;N-methyl-6-phenylpyridin-2-amine
SMILESCN(C(=O)[C@H]1CCN(C#N)C1)c1cccc(-c2ccccc2)n1.CNc1cccc(-c2ccccc2)n1.CNc1cccc(Cl)n1.Clc1cccc(Cl)n1
InChIInChI=1S/C18H18N4O.C12H12N2.C6H7ClN2.C5H3Cl2N/c1-21(18(23)15-10-11-22(12-15)13-19)17-9-5-8-16(20-17)14-6-3-2-4-7-14;1-13-12-9-5-8-11(14-12)10-6-3-2-4-7-10;1-8-6-4-2-3-5(7)9-6;6-4-2-1-3-5(7)8-4/h2-9,15H,10-12H2,1H3;2-9H,1H3,(H,13,14);2-4H,1H3,(H,8,9);1-3H/t15-;;;/m0.../s1
InChIKeyLFAJLDIBVQDDRR-CFZZCFLMSA-N
MW781.19 g/mol
LogP9.47
Rot. Bonds6

About 6-chloro-N-methylpyridin-2-amine;(3S)-1-cyano-N-methyl-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;2,6-dichloropyridine;N-methyl-6-phenylpyridin-2-amine

6-chloro-N-methylpyridin-2-amine;(3S)-1-cyano-N-methyl-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;2,6-dichloropyridine;N-methyl-6-phenylpyridin-2-amine (PubChem CID 159331573) has the molecular formula C41H40Cl3N9O and a molecular weight of 781.19 g/mol. Its IUPAC name is 6-chloro-N-methylpyridin-2-amine;(3S)-1-cyano-N-methyl-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;2,6-dichloropyridine;N-methyl-6-phenylpyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-methylpyridin-2-amine;(3S)-1-cyano-N-methyl-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;2,6-dichloropyridine;N-methyl-6-phenylpyridin-2-amine
PubChem CID159331573
Molecular FormulaC41H40Cl3N9O
Molecular Weight781.19 g/mol
Exact Mass779.24
IUPAC Name6-chloro-N-methylpyridin-2-amine;(3S)-1-cyano-N-methyl-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;2,6-dichloropyridine;N-methyl-6-phenylpyridin-2-amine
SMILESCN(C(=O)[C@H]1CCN(C#N)C1)c1cccc(-c2ccccc2)n1.CNc1cccc(-c2ccccc2)n1.CNc1cccc(Cl)n1.Clc1cccc(Cl)n1
InChIInChI=1S/C18H18N4O.C12H12N2.C6H7ClN2.C5H3Cl2N/c1-21(18(23)15-10-11-22(12-15)13-19)17-9-5-8-16(20-17)14-6-3-2-4-7-14;1-13-12-9-5-8-11(14-12)10-6-3-2-4-7-10;1-8-6-4-2-3-5(7)9-6;6-4-2-1-3-5(7)8-4/h2-9,15H,10-12H2,1H3;2-9H,1H3,(H,13,14);2-4H,1H3,(H,8,9);1-3H/t15-;;;/m0.../s1
InChIKeyLFAJLDIBVQDDRR-CFZZCFLMSA-N
XLogP9.47
TPSA122.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.19
LogP ≤ 59.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 6-chloro-N-methylpyridin-2-amine;(3S)-1-cyano-N-methyl-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;2,6-dichloropyridine;N-methyl-6-phenylpyridin-2-amine with MolForge

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Related Compounds

[1-[5-Chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperidin-4-yl]-[4-(pyridin-2-ylamino)piperidin-1-yl]methanone
CID 89736342
N-[(1R)-2-[[5-chloro-2-(6-chloro-2-pyridinyl)-6-methylpyrimidin-4-yl]amino]-1-phenylethyl]-4-piperazin-1-ylbutanamide
CID 71603177
1-[3-(2-Chloropyridin-4-yl)-4-(4-fluoro-phenyl)-[2,6]naphthyridin-1-yl]-piperidine-4-carboxylic acid isobutyl amide
CID 86666135
3-Chloro-5-(trifluoromethyl)pyridin-2-amine;1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-one;1-[3-ethenyl-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-one;1-[3-[2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-one
CID 160362618
4-[5-(1-acetamidoethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-(acetamidomethyl)-3-chloro-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(cyclohexanecarbonylamino)methyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane
CID 162223582
N-{6-[1-(3-{[bis(4-chlorophenyl)acetyl]amino}propyl)-4-piperidinyl]-2-pyridinyl}-2-methylpropanamide
CID 21957215
8-[3-(2-Chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 25020360
1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide
CID 46899715
1-[3-(2-Chloropyridin-4-yl)-[2,6]naphthyridin-1-yl]-piperidine-4-carboxylic acid isopropylamide
CID 46899717
1-[3-[3-chloro-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 67026529
1-[3-[3-chloro-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide
CID 67026530
1-[3-[5-chloro-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 67026708

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methylpyridin-2-amine;(3S)-1-cyano-N-methyl-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;2,6-dichloropyridine;N-methyl-6-phenylpyridin-2-amine?
The IUPAC name of 6-chloro-N-methylpyridin-2-amine;(3S)-1-cyano-N-methyl-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;2,6-dichloropyridine;N-methyl-6-phenylpyridin-2-amine (CID 159331573) is 6-chloro-N-methylpyridin-2-amine;(3S)-1-cyano-N-methyl-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;2,6-dichloropyridine;N-methyl-6-phenylpyridin-2-amine.
What is the SMILES notation for 6-chloro-N-methylpyridin-2-amine;(3S)-1-cyano-N-methyl-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;2,6-dichloropyridine;N-methyl-6-phenylpyridin-2-amine?
The canonical SMILES for 6-chloro-N-methylpyridin-2-amine;(3S)-1-cyano-N-methyl-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;2,6-dichloropyridine;N-methyl-6-phenylpyridin-2-amine is CN(C(=O)[C@H]1CCN(C#N)C1)c1cccc(-c2ccccc2)n1.CNc1cccc(-c2ccccc2)n1.CNc1cccc(Cl)n1.Clc1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-methylpyridin-2-amine;(3S)-1-cyano-N-methyl-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;2,6-dichloropyridine;N-methyl-6-phenylpyridin-2-amine?
The InChIKey is LFAJLDIBVQDDRR-CFZZCFLMSA-N. The full InChI is InChI=1S/C18H18N4O.C12H12N2.C6H7ClN2.C5H3Cl2N/c1-21(18(23)15-10-11-22(12-15)13-19)17-9-5-8-16(20-17)14-6-3-2-4-7-14;1-13-12-9-5-8-11(14-12)10-6-3-2-4-7-10;1-8-6-4-2-3-5(7)9-6;6-4-2-1-3-5(7)8-4/h2-9,15H,10-12H2,1H3;2-9H,1H3,(H,13,14);2-4H,1H3,(H,8,9);1-3H/t15-;;;/m0.../s1.
What are the key properties of 6-chloro-N-methylpyridin-2-amine;(3S)-1-cyano-N-methyl-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;2,6-dichloropyridine;N-methyl-6-phenylpyridin-2-amine?
6-chloro-N-methylpyridin-2-amine;(3S)-1-cyano-N-methyl-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;2,6-dichloropyridine;N-methyl-6-phenylpyridin-2-amine has a molecular weight of 781.19 g/mol, XLogP of 9.47, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methylpyridin-2-amine;(3S)-1-cyano-N-methyl-N-(6-phenyl-2-pyridinyl)pyrrolidine-3-carboxamide;2,6-dichloropyridine;N-methyl-6-phenylpyridin-2-amine is sourced from PubChem (CID 159331573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).