1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid

C15H21N3O3 — CID 115441153

IUPAC1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(CNc2ccnc(C(N)=O)c2)(C(=O)O)CC1
InChIInChI=1S/C15H21N3O3/c1-10-2-5-15(6-3-10,14(20)21)9-18-11-4-7-17-12(8-11)13(16)19/h4,7-8,10H,2-3,5-6,9H2,1H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKeyYZYOLYJCLZORDH-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.87
Rot. Bonds5

About 1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid

1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 115441153) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
PubChem CID115441153
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(CNc2ccnc(C(N)=O)c2)(C(=O)O)CC1
InChIInChI=1S/C15H21N3O3/c1-10-2-5-15(6-3-10,14(20)21)9-18-11-4-7-17-12(8-11)13(16)19/h4,7-8,10H,2-3,5-6,9H2,1H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKeyYZYOLYJCLZORDH-UHFFFAOYSA-N
XLogP1.87
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid 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

1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441131
1-[[(4-chloropyridine-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440851
4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide
CID 115366128
4-methyl-1-[[(1-methyltetrazol-5-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113310410
4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxamide
CID 104880016
4-[(2,6-dimethylpiperidin-1-yl)amino]pyridine-2-carboxamide
CID 83026708
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carboxamide
CID 54913654
4-methyl-1-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113310399
4-[(2-methyl-2-phenylpropyl)amino]pyridine-2-carboxamide
CID 60988141
1-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 136972256
4-[2-(carbamoylamino)ethylamino]pyridine-2-carboxamide
CID 83113933
methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate
CID 60926082

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid (CID 115441153) is 1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid is CC1CCC(CNc2ccnc(C(N)=O)c2)(C(=O)O)CC1.
What is the InChIKey of 1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is YZYOLYJCLZORDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-2-5-15(6-3-10,14(20)21)9-18-11-4-7-17-12(8-11)13(16)19/h4,7-8,10H,2-3,5-6,9H2,1H3,(H2,16,19)(H,17,18)(H,20,21).
What are the key properties of 1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115441153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).