1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid

C15H20N2O3 — CID 106752503

IUPAC1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2(C(=O)O)CCCCCC2)ccn1
InChIInChI=1S/C15H20N2O3/c1-11-10-12(6-9-16-11)13(18)17-15(14(19)20)7-4-2-3-5-8-15/h6,9-10H,2-5,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyNYAWRWIYKSRGMG-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.30
Rot. Bonds3

About 1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid

1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 106752503) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID106752503
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCc1cc(C(=O)NC2(C(=O)O)CCCCCC2)ccn1
InChIInChI=1S/C15H20N2O3/c1-11-10-12(6-9-16-11)13(18)17-15(14(19)20)7-4-2-3-5-8-15/h6,9-10H,2-5,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyNYAWRWIYKSRGMG-UHFFFAOYSA-N
XLogP2.30
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(Z)-N'-hydroxycarbamimidoyl]cycloheptyl]-2-methylpyridine-4-carboxamide
CID 106753929
3-methyl-1-[(2-methylpyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 106752561
4-ethyl-1-[(2-methylpyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 106752502
1-[(3,4-dihydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 67604335
1-[(3-methoxy-4-methylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158397
1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 62338755
1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 43169367
1-[(3-ethoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120539178
N,2-dimethylpyridine-4-carboxamide;ethane
CID 143416894
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28779309
1-(quinoline-6-carbonylamino)cyclobutane-1-carboxylic acid
CID 75355908
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 106752503) is 1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid is Cc1cc(C(=O)NC2(C(=O)O)CCCCCC2)ccn1.
What is the InChIKey of 1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is NYAWRWIYKSRGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-10-12(6-9-16-11)13(18)17-15(14(19)20)7-4-2-3-5-8-15/h6,9-10H,2-5,7-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid?
1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 106752503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).