5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid

C12H16N2O3 — CID 43414824

IUPAC5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCCCN(C)C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H16N2O3/c1-3-4-7-14(2)11(15)9-5-6-10(12(16)17)13-8-9/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyRWUNENYEEDLZSF-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.65
Rot. Bonds5

About 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid

5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 43414824) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID43414824
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCCCN(C)C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H16N2O3/c1-3-4-7-14(2)11(15)9-5-6-10(12(16)17)13-8-9/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyRWUNENYEEDLZSF-UHFFFAOYSA-N
XLogP1.65
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[methyl(pentyl)carbamoyl]pyridine-3-carboxylic acid
CID 43452990
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid
CID 80710135
N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681859
N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide
CID 109263866
N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide
CID 109154268
6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 109161088
N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182041
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
5-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyridine-2-carboxylic acid
CID 114134244
5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63274999
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid (CID 43414824) is 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid is CCCCN(C)C(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is RWUNENYEEDLZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-4-7-14(2)11(15)9-5-6-10(12(16)17)13-8-9/h5-6,8H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid?
5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 236.27 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 5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 43414824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).