1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid

C14H18N2O4 — CID 43341619

IUPAC1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H18N2O4/c17-11-6-5-10(9-15-11)12(18)16-14(13(19)20)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyXJOFAEHKENYUGH-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.28
Rot. Bonds3

About 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid

1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 43341619) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID43341619
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H18N2O4/c17-11-6-5-10(9-15-11)12(18)16-14(13(19)20)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyXJOFAEHKENYUGH-UHFFFAOYSA-N
XLogP1.28
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 43341619) is 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCCC1)c1ccc(=O)[nH]c1.
What is the InChIKey of 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is XJOFAEHKENYUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-11-6-5-10(9-15-11)12(18)16-14(13(19)20)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43341619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).