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

C54H49Cl3N16O7S2 — CID 159492115

About 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

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 (PubChem CID 159492115) has the molecular formula C54H49Cl3N16O7S2 and a molecular weight of 1204.58 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159492115
• Molecular Formula: C54H49Cl3N16O7S2
• Molecular Weight: 1204.58 g/mol
• Exact Mass: 1202.25
• IUPAC Name: 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
• SMILES: CCC(=O)c1cnc(Cl)cc1Cl.CCC(=O)c1cnc(Nc2cccc(C#N)n2)cc1Cl.CCC(=O)c1cnc(Nc2cccc(C#N)n2)cc1Nc1ncccc1S(C)(=O)=O.CS(=O)(=O)c1cccnc1N.N#Cc1cccc(N)n1
• InChI: InChI=1S/C20H18N6O3S.C14H11ClN4O.C8H7Cl2NO.C6H5N3.C6H8N2O2S/c1-3-16(27)14-12-23-19(26-18-8-4-6-13(11-21)24-18)10-15(14)25-20-17(30(2,28)29)7-5-9-22-20;1-2-12(20)10-8-17-14(6-11(10)15)19-13-5-3-4-9(7-16)18-13;1-2-7(12)5-4-11-8(10)3-6(5)9;7-4-5-2-1-3-6(8)9-5;1-11(9,10)5-3-2-4-8-6(5)7/h4-10,12H,3H2,1-2H3,(H2,22,23,24,25,26);3-6,8H,2H2,1H3,(H,17,18,19);3-4H,2H2,1H3;1-3H,(H2,8,9);2-4H,1H3,(H2,7,8)
• InChIKey: LYHZNTNQFLGPFA-UHFFFAOYSA-N
• XLogP: 10.15
• TPSA: 382.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1204.58
LogP ≤ 5	10.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCC(=O)c1cnc(Cl)cc1Cl.CCC(=O)c1cnc(Nc2cccc(C#N)n2)cc1Cl.CCC(=O)c1cnc(Nc2cccc(C#N)n2)cc1Nc1ncccc1S(C)(=O)=O.CS(=O)(=O)c1cccnc1N.N#Cc1cccc(N)n1.

What is the InChIKey of 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?

The InChIKey is LYHZNTNQFLGPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3S.C14H11ClN4O.C8H7Cl2NO.C6H5N3.C6H8N2O2S/c1-3-16(27)14-12-23-19(26-18-8-4-6-13(11-21)24-18)10-15(14)25-20-17(30(2,28)29)7-5-9-22-20;1-2-12(20)10-8-17-14(6-11(10)15)19-13-5-3-4-9(7-16)18-13;1-2-7(12)5-4-11-8(10)3-6(5)9;7-4-5-2-1-3-6(8)9-5;1-11(9,10)5-3-2-4-8-6(5)7/h4-10,12H,3H2,1-2H3,(H2,22,23,24,25,26);3-6,8H,2H2,1H3,(H,17,18,19);3-4H,2H2,1H3;1-3H,(H2,8,9);2-4H,1H3,(H2,7,8).

What are the key properties of 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?

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 has a molecular weight of 1204.58 g/mol, XLogP of 10.15, 14 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159492115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).