5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid

C13H16N2O3 — CID 103738125

IUPAC5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC1(CNC(=O)c2ccc(C(=O)O)nc2)CCC1
InChIInChI=1S/C13H16N2O3/c1-13(5-2-6-13)8-15-11(16)9-3-4-10(12(17)18)14-7-9/h3-4,7H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyQNPRYURYHPBMHO-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.70
Rot. Bonds4

About 5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid

5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 103738125) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID103738125
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC1(CNC(=O)c2ccc(C(=O)O)nc2)CCC1
InChIInChI=1S/C13H16N2O3/c1-13(5-2-6-13)8-15-11(16)9-3-4-10(12(17)18)14-7-9/h3-4,7H,2,5-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyQNPRYURYHPBMHO-UHFFFAOYSA-N
XLogP1.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 103722129
5-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 107164989
6-[(1-methylcyclopentyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63829285
5-(cyclobutylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43427412
5-(ethylamino)-N-[(1-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 104641394
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 60725088
3-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]benzamide
CID 81472478
5-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103753315
2-(aminomethyl)-N-[(1-methylcyclobutyl)methyl]pyridine-4-carboxamide
CID 104844550
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
CID 115362723
5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid
CID 60769978
6-(methylamino)-N-[(1-methylcyclobutyl)methyl]pyridazine-3-carboxamide
CID 114109607

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid (CID 103738125) is 5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid is CC1(CNC(=O)c2ccc(C(=O)O)nc2)CCC1.
What is the InChIKey of 5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is QNPRYURYHPBMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(5-2-6-13)8-15-11(16)9-3-4-10(12(17)18)14-7-9/h3-4,7H,2,5-6,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid?
5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylcyclobutyl)methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 103738125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).