N-(6-methylheptyl)-6-oxo-1H-pyridine-3-carboxamide

C14H22N2O2 — CID 59773148

IUPACN-(6-methylheptyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)CCCCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H22N2O2/c1-11(2)6-4-3-5-9-15-14(18)12-7-8-13(17)16-10-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyBMRVZCVBOUZEFH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.32
Rot. Bonds7

About N-(6-methylheptyl)-6-oxo-1H-pyridine-3-carboxamide

N-(6-methylheptyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 59773148) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(6-methylheptyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methylheptyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID59773148
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(6-methylheptyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)CCCCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H22N2O2/c1-11(2)6-4-3-5-9-15-14(18)12-7-8-13(17)16-10-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyBMRVZCVBOUZEFH-UHFFFAOYSA-N
XLogP2.32
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(6-methylheptyl)-6-oxo-1H-pyridine-3-carboxamide (CID 59773148) is N-(6-methylheptyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(6-methylheptyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(6-methylheptyl)-6-oxo-1H-pyridine-3-carboxamide is CC(C)CCCCCNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(6-methylheptyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BMRVZCVBOUZEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)6-4-3-5-9-15-14(18)12-7-8-13(17)16-10-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-(6-methylheptyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(6-methylheptyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 59773148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).