2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid

C14H20N2O3 — CID 63614412

IUPAC2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCC(C)CCC(C)NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-9(2)6-7-10(3)16-13(17)12-11(14(18)19)5-4-8-15-12/h4-5,8-10H,6-7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyDRQGBAACBPQZHP-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.33
Rot. Bonds6

About 2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid

2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 63614412) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID63614412
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCC(C)CCC(C)NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-9(2)6-7-10(3)16-13(17)12-11(14(18)19)5-4-8-15-12/h4-5,8-10H,6-7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyDRQGBAACBPQZHP-UHFFFAOYSA-N
XLogP2.33
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid
CID 63615434
2-(2-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 55247596
2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63615241
2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63866897
2-(but-3-yn-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 114414791
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid
CID 55249525
2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073
2-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 81357236
2-(ethoxycarbamoyl)pyridine-3-carboxylic acid
CID 64974014
N-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide
CID 143839961
3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide
CID 32652897

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid (CID 63614412) is 2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid is CC(C)CCC(C)NC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is DRQGBAACBPQZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)6-7-10(3)16-13(17)12-11(14(18)19)5-4-8-15-12/h4-5,8-10H,6-7H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid?
2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63614412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).