5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(1-ethyl-1,2,4-triazol-3-yl)amino]pyridine-2-carboxamide

C16H24N8O — CID 90354588

IUPAC5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(1-ethyl-1,2,4-triazol-3-yl)amino]pyridine-2-carboxamide
SMILESCCn1cnc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1
InChIInChI=1S/C16H24N8O/c1-2-24-9-20-16(23-24)22-13-7-10(8-19-14(13)15(18)25)21-12-6-4-3-5-11(12)17/h7-9,11-12,21H,2-6,17H2,1H3,(H2,18,25)(H,22,23)/t11-,12+/m0/s1
InChIKeyJCNVXPINCQISLK-NWDGAFQWSA-N
MW344.42 g/mol
LogP1.22
Rot. Bonds6

About 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(1-ethyl-1,2,4-triazol-3-yl)amino]pyridine-2-carboxamide

5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(1-ethyl-1,2,4-triazol-3-yl)amino]pyridine-2-carboxamide (PubChem CID 90354588) has the molecular formula C16H24N8O and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(1-ethyl-1,2,4-triazol-3-yl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(1-ethyl-1,2,4-triazol-3-yl)amino]pyridine-2-carboxamide
PubChem CID90354588
Molecular FormulaC16H24N8O
Molecular Weight344.42 g/mol
Exact Mass344.21
IUPAC Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(1-ethyl-1,2,4-triazol-3-yl)amino]pyridine-2-carboxamide
SMILESCCn1cnc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1
InChIInChI=1S/C16H24N8O/c1-2-24-9-20-16(23-24)22-13-7-10(8-19-14(13)15(18)25)21-12-6-4-3-5-11(12)17/h7-9,11-12,21H,2-6,17H2,1H3,(H2,18,25)(H,22,23)/t11-,12+/m0/s1
InChIKeyJCNVXPINCQISLK-NWDGAFQWSA-N
XLogP1.22
TPSA136.77 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(1-ethyl-1,2,4-triazol-3-yl)amino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-aminocyclohexyl)amino]-3-[(6-methyl-4-oxo-1H-pyridin-2-yl)amino]pyridine-2-carboxamide
CID 123376862
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(pyrimidin-4-ylamino)pyridine-2-carboxamide
CID 90354325
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 90354701
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(6-methyl-5-pyridin-4-yl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 121332035
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-4-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]pyridine-2-carboxamide
CID 90354456
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]pyridine-2-carboxamide
CID 72709837
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-(1-benzyltriazol-4-yl)-2-pyridinyl]amino]pyridine-2-carboxamide
CID 90354624
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[4-(1-methylimidazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide
CID 90354659
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-(3-nitrophenyl)-2-pyridinyl]amino]pyridine-2-carboxamide
CID 90355070
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[3-(triazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide
CID 90354776
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-methyl-5-[4-(1,3-oxazol-2-yl)phenyl]-2-pyridinyl]amino]pyridine-2-carboxamide
CID 90354459
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]amino]pyridine-2-carboxamide
CID 90354458

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(1-ethyl-1,2,4-triazol-3-yl)amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(1-ethyl-1,2,4-triazol-3-yl)amino]pyridine-2-carboxamide (CID 90354588) is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(1-ethyl-1,2,4-triazol-3-yl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(1-ethyl-1,2,4-triazol-3-yl)amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(1-ethyl-1,2,4-triazol-3-yl)amino]pyridine-2-carboxamide is CCn1cnc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1.
What is the InChIKey of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(1-ethyl-1,2,4-triazol-3-yl)amino]pyridine-2-carboxamide?
The InChIKey is JCNVXPINCQISLK-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H24N8O/c1-2-24-9-20-16(23-24)22-13-7-10(8-19-14(13)15(18)25)21-12-6-4-3-5-11(12)17/h7-9,11-12,21H,2-6,17H2,1H3,(H2,18,25)(H,22,23)/t11-,12+/m0/s1.
What are the key properties of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(1-ethyl-1,2,4-triazol-3-yl)amino]pyridine-2-carboxamide?
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(1-ethyl-1,2,4-triazol-3-yl)amino]pyridine-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.22, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(1-ethyl-1,2,4-triazol-3-yl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 90354588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).