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

C12H14N2O3 — CID 103722129

IUPAC5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC1(CNC(=O)c2ccc(C(=O)O)nc2)CC1
InChIInChI=1S/C12H14N2O3/c1-12(4-5-12)7-14-10(15)8-2-3-9(11(16)17)13-6-8/h2-3,6H,4-5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyRTFKCJALUKJNKA-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.31
Rot. Bonds4

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

5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 103722129) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID103722129
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCC1(CNC(=O)c2ccc(C(=O)O)nc2)CC1
InChIInChI=1S/C12H14N2O3/c1-12(4-5-12)7-14-10(15)8-2-3-9(11(16)17)13-6-8/h2-3,6H,4-5,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyRTFKCJALUKJNKA-UHFFFAOYSA-N
XLogP1.31
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.31
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-[(1,4-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-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid
CID 60769978
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 60725088
5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 55171882
5-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 115588687
5-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106375912
5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid
CID 114134244
N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-(methylamino)pyridine-2-carboxamide
CID 107165125
5-[(2-methoxy-3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid
CID 119139765

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid (CID 103722129) is 5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid is CC1(CNC(=O)c2ccc(C(=O)O)nc2)CC1.
What is the InChIKey of 5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is RTFKCJALUKJNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-12(4-5-12)7-14-10(15)8-2-3-9(11(16)17)13-6-8/h2-3,6H,4-5,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid?
5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylcyclopropyl)methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 103722129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).