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

C19H25N5O — CID 44565885

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-methylanilino)pyridine-3-carboxamide
SMILESCc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ccc2C(N)=O)c1
InChIInChI=1S/C19H25N5O/c1-12-5-4-6-13(11-12)22-19-14(18(21)25)9-10-17(24-19)23-16-8-3-2-7-15(16)20/h4-6,9-11,15-16H,2-3,7-8,20H2,1H3,(H2,21,25)(H2,22,23,24)/t15-,16+/m0/s1
InChIKeyGLYDOFDMRWDEDQ-JKSUJKDBSA-N
MW339.44 g/mol
LogP2.91
Rot. Bonds5

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

6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-methylanilino)pyridine-3-carboxamide (PubChem CID 44565885) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-methylanilino)pyridine-3-carboxamide
PubChem CID44565885
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-methylanilino)pyridine-3-carboxamide
SMILESCc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ccc2C(N)=O)c1
InChIInChI=1S/C19H25N5O/c1-12-5-4-6-13(11-12)22-19-14(18(21)25)9-10-17(24-19)23-16-8-3-2-7-15(16)20/h4-6,9-11,15-16H,2-3,7-8,20H2,1H3,(H2,21,25)(H2,22,23,24)/t15-,16+/m0/s1
InChIKeyGLYDOFDMRWDEDQ-JKSUJKDBSA-N
XLogP2.91
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-methylanilino)pyridine-3-carboxamide?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-methylanilino)pyridine-3-carboxamide (CID 44565885) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-methylanilino)pyridine-3-carboxamide is Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ccc2C(N)=O)c1.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-methylanilino)pyridine-3-carboxamide?
The InChIKey is GLYDOFDMRWDEDQ-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H25N5O/c1-12-5-4-6-13(11-12)22-19-14(18(21)25)9-10-17(24-19)23-16-8-3-2-7-15(16)20/h4-6,9-11,15-16H,2-3,7-8,20H2,1H3,(H2,21,25)(H2,22,23,24)/t15-,16+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-methylanilino)pyridine-3-carboxamide?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-methylanilino)pyridine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 44565885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).