1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid

C14H19N3O3 — CID 61289753

IUPAC1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(Nc2ccc(C(N)=O)cn2)(C(=O)O)CC1
InChIInChI=1S/C14H19N3O3/c1-9-4-6-14(7-5-9,13(19)20)17-11-3-2-10(8-16-11)12(15)18/h2-3,8-9H,4-7H2,1H3,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyFHEZMCYVJWGECF-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.63
Rot. Bonds4

About 1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid

1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 61289753) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID61289753
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(Nc2ccc(C(N)=O)cn2)(C(=O)O)CC1
InChIInChI=1S/C14H19N3O3/c1-9-4-6-14(7-5-9,13(19)20)17-11-3-2-10(8-16-11)12(15)18/h2-3,8-9H,4-7H2,1H3,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyFHEZMCYVJWGECF-UHFFFAOYSA-N
XLogP1.63
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(5-carbamoyl-2-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441131
1-(4-carbamoylanilino)-4-methylcyclohexane-1-carboxylic acid
CID 61289571
3-[(5-carbamoyl-2-pyridinyl)amino]oxolane-3-carboxylic acid
CID 64888492
1-(2-carbamoyl-5-methylanilino)-4-methylcyclohexane-1-carboxylic acid
CID 62307229
6-(cyclopentylamino)pyridine-3-carboxamide
CID 112722808
1-[(4-carbamoyl-2-pyridinyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61292222
4-methyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 66330615
3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 63042064
1-[(6-cyano-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 64587354
6-(cyclohexylamino)pyridine-3-carboxamide;hydrochloride
CID 3031414
1-anilino-4-methylcyclohexane-1-carboxamide
CID 54889334
1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 114785935

Frequently Asked Questions

What is the IUPAC name of 1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid (CID 61289753) is 1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid is CC1CCC(Nc2ccc(C(N)=O)cn2)(C(=O)O)CC1.
What is the InChIKey of 1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is FHEZMCYVJWGECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-4-6-14(7-5-9,13(19)20)17-11-3-2-10(8-16-11)12(15)18/h2-3,8-9H,4-7H2,1H3,(H2,15,18)(H,16,17)(H,19,20).
What are the key properties of 1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid?
1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-carbamoyl-2-pyridinyl)amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61289753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).