5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid

C15H22N2O3 — CID 60725401

IUPAC5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESCC(C)CCCC(C)NC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C15H22N2O3/c1-10(2)5-4-6-11(3)17-14(18)12-7-8-13(15(19)20)16-9-12/h7-11H,4-6H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyRUUWRAIRRQUOSJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.72
Rot. Bonds7

About 5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid

5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 60725401) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID60725401
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESCC(C)CCCC(C)NC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C15H22N2O3/c1-10(2)5-4-6-11(3)17-14(18)12-7-8-13(15(19)20)16-9-12/h7-11H,4-6H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyRUUWRAIRRQUOSJ-UHFFFAOYSA-N
XLogP2.72
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(6-methylheptan-2-yl)pyridine-3-carboxamide
CID 62073113
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 46515997
6-(pentan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427288
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid
CID 122055012
5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
CID 61030950
N-(6-methylheptan-2-yl)-4-sulfanylbenzamide
CID 107025136
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 114168195
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 119137421
5-[(6-methylpyridine-3-carbonyl)amino]hexanoic acid
CID 82855069

Frequently Asked Questions

What is the IUPAC name of 5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid (CID 60725401) is 5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid is CC(C)CCCC(C)NC(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is RUUWRAIRRQUOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)5-4-6-11(3)17-14(18)12-7-8-13(15(19)20)16-9-12/h7-11H,4-6H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 60725401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).