6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid

C14H18N2O3 — CID 63829285

IUPAC6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCC1(CNC(=O)c2ccc(C(=O)O)cn2)CCCC1
InChIInChI=1S/C14H18N2O3/c1-14(6-2-3-7-14)9-16-12(17)11-5-4-10(8-15-11)13(18)19/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyOFZGKDISSZZVIO-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.09
Rot. Bonds4

About 6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid

6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 63829285) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID63829285
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCC1(CNC(=O)c2ccc(C(=O)O)cn2)CCCC1
InChIInChI=1S/C14H18N2O3/c1-14(6-2-3-7-14)9-16-12(17)11-5-4-10(8-15-11)13(18)19/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyOFZGKDISSZZVIO-UHFFFAOYSA-N
XLogP2.09
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 103738125
5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 103722129
5-(ethylamino)-N-[(1-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 104641394
5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103753315
5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 107164989
5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 113400496
6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43429243
N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(methylamino)pyridine-2-carboxamide
CID 107165125
6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43427330
3-bromo-4-chloro-N-[(1-methylcyclohexyl)methyl]benzamide
CID 114094949
methyl 6-[(1-phenylcyclobutyl)methylcarbamoyl]pyridine-3-carboxylate
CID 134001978
3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 81472478

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid (CID 63829285) is 6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid is CC1(CNC(=O)c2ccc(C(=O)O)cn2)CCCC1.
What is the InChIKey of 6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is OFZGKDISSZZVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(6-2-3-7-14)9-16-12(17)11-5-4-10(8-15-11)13(18)19/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid?
6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63829285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).