4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid

C13H18N2O3 — CID 114244330

IUPAC4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCCN(CC(C)C)C(=O)c1ccncc1C(=O)O
InChIInChI=1S/C13H18N2O3/c1-4-15(8-9(2)3)12(16)10-5-6-14-7-11(10)13(17)18/h5-7,9H,4,8H2,1-3H3,(H,17,18)
InChIKeyHFJBBYPSBKLVNE-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.90
Rot. Bonds5

About 4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid

4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 114244330) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID114244330
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCCN(CC(C)C)C(=O)c1ccncc1C(=O)O
InChIInChI=1S/C13H18N2O3/c1-4-15(8-9(2)3)12(16)10-5-6-14-7-11(10)13(17)18/h5-7,9H,4,8H2,1-3H3,(H,17,18)
InChIKeyHFJBBYPSBKLVNE-UHFFFAOYSA-N
XLogP1.90
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropylmethyl(ethyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244404
4-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 114244443
4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244358
N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 115646478
4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
CID 43452953
N-[2-(dimethylamino)ethyl]-3-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105068956
3-chloro-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 66463593
N-ethyl-3-hydroxy-2-methyl-N-(2-methylpropyl)benzamide
CID 82830028
4-[2-(diethylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 114233075
pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739
3-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 113240831
2-[(3-bromopyridine-4-carbonyl)-ethylamino]acetic acid
CID 120519712

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid (CID 114244330) is 4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid is CCN(CC(C)C)C(=O)c1ccncc1C(=O)O.
What is the InChIKey of 4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is HFJBBYPSBKLVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-15(8-9(2)3)12(16)10-5-6-14-7-11(10)13(17)18/h5-7,9H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid?
4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylpropyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114244330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).