2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexyl]acetic acid

C14H18N2O4 — CID 64670575

IUPAC2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(=O)[nH]c2)CCCCC1
InChIInChI=1S/C14H18N2O4/c17-11-5-4-10(9-15-11)13(20)16-14(8-12(18)19)6-2-1-3-7-14/h4-5,9H,1-3,6-8H2,(H,15,17)(H,16,20)(H,18,19)
InChIKeyOQYBDFXEVOCKTG-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.28
Rot. Bonds4

About 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexyl]acetic acid

2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexyl]acetic acid (PubChem CID 64670575) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexyl]acetic acid
PubChem CID64670575
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(=O)[nH]c2)CCCCC1
InChIInChI=1S/C14H18N2O4/c17-11-5-4-10(9-15-11)13(20)16-14(8-12(18)19)6-2-1-3-7-14/h4-5,9H,1-3,6-8H2,(H,15,17)(H,16,20)(H,18,19)
InChIKeyOQYBDFXEVOCKTG-UHFFFAOYSA-N
XLogP1.28
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexyl]acetic acid (CID 64670575) is 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)c2ccc(=O)[nH]c2)CCCCC1.
What is the InChIKey of 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexyl]acetic acid?
The InChIKey is OQYBDFXEVOCKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-11-5-4-10(9-15-11)13(20)16-14(8-12(18)19)6-2-1-3-7-14/h4-5,9H,1-3,6-8H2,(H,15,17)(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexyl]acetic acid?
2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexyl]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64670575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).