[2-[[5-[[(1R,2S)-2-aminocyclohexyl]amino]-2-carbamoyl-3-pyridinyl]amino]-6-methyl-4-pyridinyl] formate

C19H24N6O3 — CID 90354640

IUPAC[2-[[5-[[(1R,2S)-2-aminocyclohexyl]amino]-2-carbamoyl-3-pyridinyl]amino]-6-methyl-4-pyridinyl] formate
SMILESCc1cc(OC=O)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1
InChIInChI=1S/C19H24N6O3/c1-11-6-13(28-10-26)8-17(23-11)25-16-7-12(9-22-18(16)19(21)27)24-15-5-3-2-4-14(15)20/h6-10,14-15,24H,2-5,20H2,1H3,(H2,21,27)(H,23,25)/t14-,15+/m0/s1
InChIKeyJBQFEMVZQMPKNF-LSDHHAIUSA-N
MW384.44 g/mol
LogP1.84
Rot. Bonds7

About [2-[[5-[[(1R,2S)-2-aminocyclohexyl]amino]-2-carbamoyl-3-pyridinyl]amino]-6-methyl-4-pyridinyl] formate

[2-[[5-[[(1R,2S)-2-aminocyclohexyl]amino]-2-carbamoyl-3-pyridinyl]amino]-6-methyl-4-pyridinyl] formate (PubChem CID 90354640) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is [2-[[5-[[(1R,2S)-2-aminocyclohexyl]amino]-2-carbamoyl-3-pyridinyl]amino]-6-methyl-4-pyridinyl] formate.

Molecular Properties

Compound Name[2-[[5-[[(1R,2S)-2-aminocyclohexyl]amino]-2-carbamoyl-3-pyridinyl]amino]-6-methyl-4-pyridinyl] formate
PubChem CID90354640
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name[2-[[5-[[(1R,2S)-2-aminocyclohexyl]amino]-2-carbamoyl-3-pyridinyl]amino]-6-methyl-4-pyridinyl] formate
SMILESCc1cc(OC=O)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1
InChIInChI=1S/C19H24N6O3/c1-11-6-13(28-10-26)8-17(23-11)25-16-7-12(9-22-18(16)19(21)27)24-15-5-3-2-4-14(15)20/h6-10,14-15,24H,2-5,20H2,1H3,(H2,21,27)(H,23,25)/t14-,15+/m0/s1
InChIKeyJBQFEMVZQMPKNF-LSDHHAIUSA-N
XLogP1.84
TPSA145.25 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [2-[[5-[[(1R,2S)-2-aminocyclohexyl]amino]-2-carbamoyl-3-pyridinyl]amino]-6-methyl-4-pyridinyl] formate 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-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(4-methoxy-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 71547584
5-[[(3S,4S)-4-amino-1,1-dioxothian-3-yl]amino]-3-[(4-methoxy-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 71548006
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-(2-hydroxy-2-methylpropoxy)-2-methylpyrimidin-4-yl]amino]pyridine-2-carboxamide
CID 118733353
6-[(6-Methoxy-3-pyridinyl)amino]-3-phenylpyrido[3,2-d]pyrimidin-4-one
CID 134805248
4-methoxy-N-pyrazin-2-ylpyridine-2-carboxamide
CID 86794705
6-[(2-Aminocyclohexyl)amino]-5-fluoro-2-[(2-methoxy-4-pyridinyl)amino]pyridine-3-carboxamide
CID 89537709
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(2-methoxy-4-pyridinyl)amino]pyridine-3-carboxamide
CID 89537712
6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(2-methoxy-4-pyridinyl)amino]pyridine-3-carboxamide
CID 89551213
5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-[(5-methoxypyridin-3-yl)amino]pyrazine-2-carboxamide
CID 89572181
5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-[(6-methoxypyridin-3-yl)amino]pyrazine-2-carboxamide
CID 89572428
5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-[(2-methoxypyridin-4-yl)amino]pyrazine-2-carboxamide
CID 89572631
5-[(2-Amino-3,3-difluorocyclohexyl)amino]-3-[(5-methoxy-3-pyridinyl)amino]pyrazine-2-carboxamide
CID 123217495

Frequently Asked Questions

What is the IUPAC name of [2-[[5-[[(1R,2S)-2-aminocyclohexyl]amino]-2-carbamoyl-3-pyridinyl]amino]-6-methyl-4-pyridinyl] formate?
The IUPAC name of [2-[[5-[[(1R,2S)-2-aminocyclohexyl]amino]-2-carbamoyl-3-pyridinyl]amino]-6-methyl-4-pyridinyl] formate (CID 90354640) is [2-[[5-[[(1R,2S)-2-aminocyclohexyl]amino]-2-carbamoyl-3-pyridinyl]amino]-6-methyl-4-pyridinyl] formate.
What is the SMILES notation for [2-[[5-[[(1R,2S)-2-aminocyclohexyl]amino]-2-carbamoyl-3-pyridinyl]amino]-6-methyl-4-pyridinyl] formate?
The canonical SMILES for [2-[[5-[[(1R,2S)-2-aminocyclohexyl]amino]-2-carbamoyl-3-pyridinyl]amino]-6-methyl-4-pyridinyl] formate is Cc1cc(OC=O)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1.
What is the InChIKey of [2-[[5-[[(1R,2S)-2-aminocyclohexyl]amino]-2-carbamoyl-3-pyridinyl]amino]-6-methyl-4-pyridinyl] formate?
The InChIKey is JBQFEMVZQMPKNF-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-11-6-13(28-10-26)8-17(23-11)25-16-7-12(9-22-18(16)19(21)27)24-15-5-3-2-4-14(15)20/h6-10,14-15,24H,2-5,20H2,1H3,(H2,21,27)(H,23,25)/t14-,15+/m0/s1.
What are the key properties of [2-[[5-[[(1R,2S)-2-aminocyclohexyl]amino]-2-carbamoyl-3-pyridinyl]amino]-6-methyl-4-pyridinyl] formate?
[2-[[5-[[(1R,2S)-2-aminocyclohexyl]amino]-2-carbamoyl-3-pyridinyl]amino]-6-methyl-4-pyridinyl] formate has a molecular weight of 384.44 g/mol, XLogP of 1.84, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-[[(1R,2S)-2-aminocyclohexyl]amino]-2-carbamoyl-3-pyridinyl]amino]-6-methyl-4-pyridinyl] formate is sourced from PubChem (CID 90354640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).