4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid

C13H16N2O3 — CID 114244404

IUPAC4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCCN(CC1CC1)C(=O)c1ccncc1C(=O)O
InChIInChI=1S/C13H16N2O3/c1-2-15(8-9-3-4-9)12(16)10-5-6-14-7-11(10)13(17)18/h5-7,9H,2-4,8H2,1H3,(H,17,18)
InChIKeyRWIWCJZMKFSWSD-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.65
Rot. Bonds5

About 4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid

4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 114244404) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID114244404
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCCN(CC1CC1)C(=O)c1ccncc1C(=O)O
InChIInChI=1S/C13H16N2O3/c1-2-15(8-9-3-4-9)12(16)10-5-6-14-7-11(10)13(17)18/h5-7,9H,2-4,8H2,1H3,(H,17,18)
InChIKeyRWIWCJZMKFSWSD-UHFFFAOYSA-N
XLogP1.65
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105070225
4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244330
3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
CID 66472049
2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid
CID 107397528
N-(cyclobutylmethyl)-N-ethyl-3-hydrazinylpyridine-4-carboxamide
CID 107401447
N,N-bis(cyclopropylmethyl)-3-hydroxypyridine-4-carboxamide
CID 81443103
3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
CID 66482927
4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 107399152
3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-4-carboxamide
CID 107400585
N-(cyclopropylmethyl)-3-ethyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 86789424
N-(cyclopropylmethyl)-4-(ethylamino)-N-propylpyridine-3-carboxamide
CID 81242615
N-(cyclopropylmethyl)-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82829503

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid (CID 114244404) is 4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid is CCN(CC1CC1)C(=O)c1ccncc1C(=O)O.
What is the InChIKey of 4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is RWIWCJZMKFSWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-15(8-9-3-4-9)12(16)10-5-6-14-7-11(10)13(17)18/h5-7,9H,2-4,8H2,1H3,(H,17,18).
What are the key properties of 4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid?
4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114244404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).