1-[[(4-chloropyridine-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid

C15H19ClN2O3 — CID 115440851

IUPAC1-[[(4-chloropyridine-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)c2cc(Cl)ccn2)(C(=O)O)CC1
InChIInChI=1S/C15H19ClN2O3/c1-10-2-5-15(6-3-10,14(20)21)9-18-13(19)12-8-11(16)4-7-17-12/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyQEXMINXCLAUGQR-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.75
Rot. Bonds4

About 1-[[(4-chloropyridine-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid

1-[[(4-chloropyridine-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 115440851) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[[(4-chloropyridine-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-chloropyridine-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
PubChem CID115440851
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-[[(4-chloropyridine-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)c2cc(Cl)ccn2)(C(=O)O)CC1
InChIInChI=1S/C15H19ClN2O3/c1-10-2-5-15(6-3-10,14(20)21)9-18-13(19)12-8-11(16)4-7-17-12/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyQEXMINXCLAUGQR-UHFFFAOYSA-N
XLogP2.75
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(4-chloro-1H-pyrrole-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440865
1-[[(2-chlorobenzoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440820
1-[[(2-carbamoyl-4-pyridinyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441153
4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 114751793
4-methyl-1-[(1,2,5-thiadiazole-3-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 113310364
4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 113364713
1-[[(3-chloro-4-methylthiophene-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 103400251
4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 54983100
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440961
1-[[(5-iodothiophene-3-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440842
4-methyl-1-[[(4-methylthiophene-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115440888

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-chloropyridine-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(4-chloropyridine-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid (CID 115440851) is 1-[[(4-chloropyridine-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-chloropyridine-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-chloropyridine-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid is CC1CCC(CNC(=O)c2cc(Cl)ccn2)(C(=O)O)CC1.
What is the InChIKey of 1-[[(4-chloropyridine-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is QEXMINXCLAUGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10-2-5-15(6-3-10,14(20)21)9-18-13(19)12-8-11(16)4-7-17-12/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[[(4-chloropyridine-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid?
1-[[(4-chloropyridine-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 310.78 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-chloropyridine-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115440851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).