6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;5-cyano-6-methyl-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;methane

C49H62N18O4 — CID 158886854

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;5-cyano-6-methyl-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;methane

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;5-cyano-6-methyl-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;methane (PubChem CID 158886854) has the molecular formula C49H62N18O4 and a molecular weight of 967.16 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;5-cyano-6-methyl-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;methane.

Molecular Properties

• Compound Name: 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;5-cyano-6-methyl-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;methane
• PubChem CID: 158886854
• Molecular Formula: C49H62N18O4
• Molecular Weight: 967.16 g/mol
• Exact Mass: 966.52
• IUPAC Name: 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;5-cyano-6-methyl-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;methane
• SMILES: C.CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.Cc1nc(Nc2cccc(-n3nccn3)c2)c(C(N)=O)cc1C#N.N#Cc1cc(C(N)=O)c(Nc2cccc(-n3nccn3)c2)nc1N[C@@H]1CCCC[C@@H]1N
• InChI: InChI=1S/C21H23N9O.C16H13N7O.C11H22N2O2.CH4/c22-12-13-10-16(19(24)31)21(29-20(13)28-18-7-2-1-6-17(18)23)27-14-4-3-5-15(11-14)30-25-8-9-26-30;1-10-11(9-17)7-14(15(18)24)16(21-10)22-12-3-2-4-13(8-12)23-19-5-6-20-23;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;/h3-5,8-11,17-18H,1-2,6-7,23H2,(H2,24,31)(H2,27,28,29);2-8H,1H3,(H2,18,24)(H,21,22);8-9H,4-7,12H2,1-3H3,(H,13,14);1H4/t17-,18+;;8-,9+;/m0.1./s1
• InChIKey: JDSUBZJXCVWOLZ-MYVKMXPFSA-N
• XLogP: 6.16
• TPSA: 347.42 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	967.16
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;5-cyano-6-methyl-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;methane?

The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;5-cyano-6-methyl-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;methane (CID 158886854) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;5-cyano-6-methyl-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;methane.

What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;5-cyano-6-methyl-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;methane?

The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;5-cyano-6-methyl-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;methane is C.CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N.Cc1nc(Nc2cccc(-n3nccn3)c2)c(C(N)=O)cc1C#N.N#Cc1cc(C(N)=O)c(Nc2cccc(-n3nccn3)c2)nc1N[C@@H]1CCCC[C@@H]1N.

What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;5-cyano-6-methyl-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;methane?

The InChIKey is JDSUBZJXCVWOLZ-MYVKMXPFSA-N. The full InChI is InChI=1S/C21H23N9O.C16H13N7O.C11H22N2O2.CH4/c22-12-13-10-16(19(24)31)21(29-20(13)28-18-7-2-1-6-17(18)23)27-14-4-3-5-15(11-14)30-25-8-9-26-30;1-10-11(9-17)7-14(15(18)24)16(21-10)22-12-3-2-4-13(8-12)23-19-5-6-20-23;1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12;/h3-5,8-11,17-18H,1-2,6-7,23H2,(H2,24,31)(H2,27,28,29);2-8H,1H3,(H2,18,24)(H,21,22);8-9H,4-7,12H2,1-3H3,(H,13,14);1H4/t17-,18+;;8-,9+;/m0.1./s1.

What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;5-cyano-6-methyl-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;methane?

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;5-cyano-6-methyl-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;methane has a molecular weight of 967.16 g/mol, XLogP of 6.16, 11 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;5-cyano-6-methyl-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide;methane is sourced from PubChem (CID 158886854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).