4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid

C15H21N3O3 — CID 79526015

IUPAC4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCNC(=O)c1cc(NCC2CCC(C(=O)O)CC2)ccn1
InChIInChI=1S/C15H21N3O3/c1-16-14(19)13-8-12(6-7-17-13)18-9-10-2-4-11(5-3-10)15(20)21/h6-8,10-11H,2-5,9H2,1H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyCPJYTEFZHDUYHN-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.74
Rot. Bonds5

About 4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid

4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79526015) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79526015
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCNC(=O)c1cc(NCC2CCC(C(=O)O)CC2)ccn1
InChIInChI=1S/C15H21N3O3/c1-16-14(19)13-8-12(6-7-17-13)18-9-10-2-4-11(5-3-10)15(20)21/h6-8,10-11H,2-5,9H2,1H3,(H,16,19)(H,17,18)(H,20,21)
InChIKeyCPJYTEFZHDUYHN-UHFFFAOYSA-N
XLogP1.74
TPSA91.32 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 ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide
CID 106129174
4-[(3-aminocyclobutyl)methylamino]-N-methylpyridine-2-carboxamide
CID 66006288
4-(3-cyclopentylpropylamino)-N-methylpyridine-2-carboxamide
CID 106012735
4-(2-cyclohexyloxyethylamino)-N-methylpyridine-2-carboxamide
CID 63828258
2-methyl-2-[[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 61264748
4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide
CID 43599645
N-methyl-4-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxamide
CID 114516067
4-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479
methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate
CID 66285903
N-(cyclobutylmethyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62167949
4-(2-ethoxyethylamino)-N-methylpyridine-2-carboxamide
CID 43591225
N-ethyl-4-[(3-hydroxycyclobutyl)methylamino]pyridine-2-carboxamide
CID 66004621

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 79526015) is 4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid is CNC(=O)c1cc(NCC2CCC(C(=O)O)CC2)ccn1.
What is the InChIKey of 4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is CPJYTEFZHDUYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-16-14(19)13-8-12(6-7-17-13)18-9-10-2-4-11(5-3-10)15(20)21/h6-8,10-11H,2-5,9H2,1H3,(H,16,19)(H,17,18)(H,20,21).
What are the key properties of 4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(methylcarbamoyl)-4-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79526015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).