2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid

C15H22N2O3 — CID 122055012

IUPAC2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid
SMILESCC(C)CCCC(C)NC(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C15H22N2O3/c1-10(2)5-4-6-11(3)17-14(18)13-9-12(15(19)20)7-8-16-13/h7-11H,4-6H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyBUBMIWANCRMOSB-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.72
Rot. Bonds7

About 2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid

2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid (PubChem CID 122055012) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid
PubChem CID122055012
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid
SMILESCC(C)CCCC(C)NC(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C15H22N2O3/c1-10(2)5-4-6-11(3)17-14(18)13-9-12(15(19)20)7-8-16-13/h7-11H,4-6H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyBUBMIWANCRMOSB-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

4-amino-N-(6-methylheptan-2-yl)pyridine-2-carboxamide
CID 55041915
2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid
CID 122055375
5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 60725401
4-(7-methyloctylcarbamoyl)pyridine-2-carboxylic acid
CID 107817694
2-N-butan-2-yl-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078405
2-N,4-N-di(propan-2-yl)pyridine-2,4-dicarboxamide
CID 109078008
2-N-butan-2-yl-4-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109080128
2-(dicyclopropylmethylcarbamoyl)pyridine-4-carboxylic acid
CID 122055105
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
2-(6-methylheptanoylamino)pyridine-4-carboxylic acid
CID 115273439
4-(4-ethylsulfanylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 115730415
2-[2-methylpropyl(propan-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055270

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid (CID 122055012) is 2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid is CC(C)CCCC(C)NC(=O)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid?
The InChIKey is BUBMIWANCRMOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)5-4-6-11(3)17-14(18)13-9-12(15(19)20)7-8-16-13/h7-11H,4-6H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid?
2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-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 2-(6-methylheptan-2-ylcarbamoyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 122055012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).