2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C16H22N2O3 — CID 82732011

IUPAC2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCc1cccnc1CNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-2-11-6-5-9-17-14(11)10-18-15(19)12-7-3-4-8-13(12)16(20)21/h5-6,9,12-13H,2-4,7-8,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyPVHFLKCOHGFLAK-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.15
Rot. Bonds5

About 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 82732011) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID82732011
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCc1cccnc1CNC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-2-11-6-5-9-17-14(11)10-18-15(19)12-7-3-4-8-13(12)16(20)21/h5-6,9,12-13H,2-4,7-8,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyPVHFLKCOHGFLAK-UHFFFAOYSA-N
XLogP2.15
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-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

4-amino-N-[(3-ethyl-2-pyridinyl)methyl]oxolane-3-carboxamide
CID 82737954
2-[(2-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 43399826
(3R)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 82737771
1-cyclopropyl-3-[(3-ethyl-2-pyridinyl)methyl]urea
CID 116657152
N-[(3-ethyl-2-pyridinyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893553
2-amino-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 64822512
N-[(3-ethyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 82748805
trans-(1S,2S)-2-[(2-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 800075
2-[cyclopropyl-[(3-ethyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 82748868
2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 115886751
trans-(1S,2S)-N-[(3-methyl-2-pyridinyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 96526857
trans-(1R,2R)-N-[(3-methyl-2-pyridinyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 96526858

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 82732011) is 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is CCc1cccnc1CNC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is PVHFLKCOHGFLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-11-6-5-9-17-14(11)10-18-15(19)12-7-3-4-8-13(12)16(20)21/h5-6,9,12-13H,2-4,7-8,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82732011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).