2-(5-amino-2-pyridinyl)propan-2-ol;1-[4-chloro-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine

C60H70Cl3N13O10S2 — CID 158897242

IUPAC2-(5-amino-2-pyridinyl)propan-2-ol;1-[4-chloro-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine
SMILESCC(C)(O)c1ccc(N)cn1.CCC(=O)c1cnc(Cl)cc1Cl.CCC(=O)c1cnc(Nc2ccc(C(C)(C)O)cn2)cc1Cl.CCC(=O)c1cnc(Nc2ccc(C(C)(C)O)cn2)cc1Nc1ncccc1S(C)(=O)=O.CS(=O)(=O)c1cccnc1N
InChIInChI=1S/C22H25N5O4S.C16H18ClN3O2.C8H7Cl2NO.C8H12N2O.C6H8N2O2S/c1-5-17(28)15-13-25-20(27-19-9-8-14(12-24-19)22(2,3)29)11-16(15)26-21-18(32(4,30)31)7-6-10-23-21;1-4-13(21)11-9-19-15(7-12(11)17)20-14-6-5-10(8-18-14)16(2,3)22;1-2-7(12)5-4-11-8(10)3-6(5)9;1-8(2,11)7-4-3-6(9)5-10-7;1-11(9,10)5-3-2-4-8-6(5)7/h6-13,29H,5H2,1-4H3,(H2,23,24,25,26,27);5-9,22H,4H2,1-3H3,(H,18,19,20);3-4H,2H2,1H3;3-5,11H,9H2,1-2H3;2-4H,1H3,(H2,7,8)
InChIKeyJEZHHSSKEYRCOL-UHFFFAOYSA-N
MW1303.79 g/mol
LogP11.22
Rot. Bonds17

About 2-(5-amino-2-pyridinyl)propan-2-ol;1-[4-chloro-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine

2-(5-amino-2-pyridinyl)propan-2-ol;1-[4-chloro-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine (PubChem CID 158897242) has the molecular formula C60H70Cl3N13O10S2 and a molecular weight of 1303.79 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)propan-2-ol;1-[4-chloro-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)propan-2-ol;1-[4-chloro-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine
PubChem CID158897242
Molecular FormulaC60H70Cl3N13O10S2
Molecular Weight1303.79 g/mol
Exact Mass1301.39
IUPAC Name2-(5-amino-2-pyridinyl)propan-2-ol;1-[4-chloro-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine
SMILESCC(C)(O)c1ccc(N)cn1.CCC(=O)c1cnc(Cl)cc1Cl.CCC(=O)c1cnc(Nc2ccc(C(C)(C)O)cn2)cc1Cl.CCC(=O)c1cnc(Nc2ccc(C(C)(C)O)cn2)cc1Nc1ncccc1S(C)(=O)=O.CS(=O)(=O)c1cccnc1N
InChIInChI=1S/C22H25N5O4S.C16H18ClN3O2.C8H7Cl2NO.C8H12N2O.C6H8N2O2S/c1-5-17(28)15-13-25-20(27-19-9-8-14(12-24-19)22(2,3)29)11-16(15)26-21-18(32(4,30)31)7-6-10-23-21;1-4-13(21)11-9-19-15(7-12(11)17)20-14-6-5-10(8-18-14)16(2,3)22;1-2-7(12)5-4-11-8(10)3-6(5)9;1-8(2,11)7-4-3-6(9)5-10-7;1-11(9,10)5-3-2-4-8-6(5)7/h6-13,29H,5H2,1-4H3,(H2,23,24,25,26,27);5-9,22H,4H2,1-3H3,(H,18,19,20);3-4H,2H2,1H3;3-5,11H,9H2,1-2H3;2-4H,1H3,(H2,7,8)
InChIKeyJEZHHSSKEYRCOL-UHFFFAOYSA-N
XLogP11.22
TPSA371.43 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001303.79
LogP ≤ 511.22
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 2-(5-amino-2-pyridinyl)propan-2-ol;1-[4-chloro-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

lithium;2-(6-amino-4-chloro-3-pyridinyl)propan-2-ol;bis(trimethylsilyl)azanide;6-chloro-4-[(6-cyclopropyl-3-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[[4-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(6-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-cyclopropyl-3-methylsulfanylpyridin-2-amine;4,6-dichloro-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 157413359
2-Chloro-4,5-dimethylpyridine;2-chloro-5-methylpyrazine;2-chloro-5-methylpyridine;3-isocyano-4-methylpyridine;2-methylbutane;5-methylpyridine-3-carboxamide;5-methylpyridine-3-carboxylic acid;6-methylpyridine-3-carboxylic acid;5-methylpyrimidin-2-amine;2-methylpyrimidine-5-sulfonamide
CID 157623171
6-Chloro-4-(2-methylanilino)pyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine;bis(6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylanilino)pyridine-3-carboxylic acid);2-methylsulfanylaniline;sulfur dioxide
CID 158179292
1-[4-Chloro-6-[(2,6-dimethylpyrimidin-4-yl)amino]-3-pyridinyl]-3,3,3-trideuteriopropan-1-one;2,6-dimethylpyrimidin-4-amine;1-[6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine;3,3,3-trideuterio-1-(4,6-dichloro-3-pyridinyl)propan-1-one
CID 158305760
2-(6-Amino-3-pyridinyl)propan-2-ol;tris([6-chloro-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethanone);cyclopropyl-(4,6-dichloro-3-pyridinyl)methanone;cyclopropyl-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone;3-methylpyridin-2-amine;tris(sulfur dioxide)
CID 158323137
2-(6-amino-3-pyridinyl)propan-2-ol;6-chloro-N-ethyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid;ethanamine;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;hydrochloride
CID 158673684
Bis(2-(6-amino-2-fluoro-3-pyridinyl)-1,1,1,3,3,3-hexadeuteriopropan-2-ol);5-bromo-6-fluoropyridin-2-amine;1-[4-chloro-6-[[6-fluoro-5-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-3,3,3-trideuteriopropan-1-one;6-fluoropyridin-2-amine;3-methylsulfonylpyridin-2-amine;3,3,3-trideuterio-1-(4,6-dichloro-3-pyridinyl)propan-1-one;3,3,3-trideuterio-1-[6-[[6-fluoro-5-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;1,1,1-trideuteriopropan-2-one
CID 159299806
6-Aminopyridine-2-carbonitrile;6-[(4-chloro-5-propanoyl-2-pyridinyl)amino]pyridine-2-carbonitrile;1-(4,6-dichloro-3-pyridinyl)propan-1-one;3-methylsulfonylpyridin-2-amine;6-[[4-[(3-methylsulfonyl-2-pyridinyl)amino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile
CID 159492115
2-(6-Amino-2-fluoro-3-pyridinyl)propan-2-ol;1-[4-chloro-6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine
CID 159805358
2-[6-[4-[(6-Amino-3-pyridinyl)sulfonyl]phenyl]-3-pyridinyl]propan-2-ol;6-chloropyridine-3-carbonyl chloride;2-(6-chloro-3-pyridinyl)propan-2-ol;5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylpyridin-2-amine
CID 159914055
1-[4-Chloro-6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]-3,3,3-trideuteriopropan-1-one;3-methylsulfonylpyridin-2-amine;3,3,3-trideuterio-1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one
CID 160055932
lithium;bis(trimethylsilyl)azanide;6-chloro-4-[(6-cyclopropyl-3-methyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide;6-[[4-chloro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(6-cyclopropyl-3-methylsulfonyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide;2-(4-chloro-6-methyl-3-pyridinyl)propan-2-ol;6-cyclopropyl-3-methylsulfanylpyridin-2-amine;4,6-dichloro-N-methylpyridazine-3-carboxamide
CID 162023242

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)propan-2-ol;1-[4-chloro-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine?
The IUPAC name of 2-(5-amino-2-pyridinyl)propan-2-ol;1-[4-chloro-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine (CID 158897242) is 2-(5-amino-2-pyridinyl)propan-2-ol;1-[4-chloro-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)propan-2-ol;1-[4-chloro-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine?
The canonical SMILES for 2-(5-amino-2-pyridinyl)propan-2-ol;1-[4-chloro-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine is CC(C)(O)c1ccc(N)cn1.CCC(=O)c1cnc(Cl)cc1Cl.CCC(=O)c1cnc(Nc2ccc(C(C)(C)O)cn2)cc1Cl.CCC(=O)c1cnc(Nc2ccc(C(C)(C)O)cn2)cc1Nc1ncccc1S(C)(=O)=O.CS(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-(5-amino-2-pyridinyl)propan-2-ol;1-[4-chloro-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine?
The InChIKey is JEZHHSSKEYRCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S.C16H18ClN3O2.C8H7Cl2NO.C8H12N2O.C6H8N2O2S/c1-5-17(28)15-13-25-20(27-19-9-8-14(12-24-19)22(2,3)29)11-16(15)26-21-18(32(4,30)31)7-6-10-23-21;1-4-13(21)11-9-19-15(7-12(11)17)20-14-6-5-10(8-18-14)16(2,3)22;1-2-7(12)5-4-11-8(10)3-6(5)9;1-8(2,11)7-4-3-6(9)5-10-7;1-11(9,10)5-3-2-4-8-6(5)7/h6-13,29H,5H2,1-4H3,(H2,23,24,25,26,27);5-9,22H,4H2,1-3H3,(H,18,19,20);3-4H,2H2,1H3;3-5,11H,9H2,1-2H3;2-4H,1H3,(H2,7,8).
What are the key properties of 2-(5-amino-2-pyridinyl)propan-2-ol;1-[4-chloro-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine?
2-(5-amino-2-pyridinyl)propan-2-ol;1-[4-chloro-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine has a molecular weight of 1303.79 g/mol, XLogP of 11.22, 17 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)propan-2-ol;1-[4-chloro-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 158897242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).