6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-methylanilino)pyridine-3-carboxamide

C20H24N6O — CID 69284028

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-methylanilino)pyridine-3-carboxamide
SMILESCc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C#N)cc2C(N)=O)c1
InChIInChI=1S/C20H24N6O/c1-12-5-4-6-14(9-12)24-20-15(18(23)27)10-13(11-21)19(26-20)25-17-8-3-2-7-16(17)22/h4-6,9-10,16-17H,2-3,7-8,22H2,1H3,(H2,23,27)(H2,24,25,26)/t16-,17+/m0/s1
InChIKeyXAMCCSYNPOEISO-DLBZAZTESA-N
MW364.45 g/mol
LogP2.79
Rot. Bonds5

About 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-methylanilino)pyridine-3-carboxamide

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-methylanilino)pyridine-3-carboxamide (PubChem CID 69284028) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-methylanilino)pyridine-3-carboxamide
PubChem CID69284028
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-methylanilino)pyridine-3-carboxamide
SMILESCc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C#N)cc2C(N)=O)c1
InChIInChI=1S/C20H24N6O/c1-12-5-4-6-14(9-12)24-20-15(18(23)27)10-13(11-21)19(26-20)25-17-8-3-2-7-16(17)22/h4-6,9-10,16-17H,2-3,7-8,22H2,1H3,(H2,23,27)(H2,24,25,26)/t16-,17+/m0/s1
InChIKeyXAMCCSYNPOEISO-DLBZAZTESA-N
XLogP2.79
TPSA129.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-methylanilino)pyridine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-methylanilino)pyridine-3-carboxamide (CID 69284028) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-methylanilino)pyridine-3-carboxamide is Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C#N)cc2C(N)=O)c1.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-methylanilino)pyridine-3-carboxamide?
The InChIKey is XAMCCSYNPOEISO-DLBZAZTESA-N. The full InChI is InChI=1S/C20H24N6O/c1-12-5-4-6-14(9-12)24-20-15(18(23)27)10-13(11-21)19(26-20)25-17-8-3-2-7-16(17)22/h4-6,9-10,16-17H,2-3,7-8,22H2,1H3,(H2,23,27)(H2,24,25,26)/t16-,17+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-methylanilino)pyridine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-methylanilino)pyridine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-cyano-2-(3-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 69284028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).