N-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide

C11H15ClN2O2 — CID 106129299

IUPACN-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(Cl)CCCNC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C11H15ClN2O2/c1-8(12)4-3-7-13-11(16)9-5-2-6-10(15)14-9/h2,5-6,8H,3-4,7H2,1H3,(H,13,16)(H,14,15)
InChIKeyYVADNWJXBISMAB-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.51
Rot. Bonds5

About N-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide

N-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 106129299) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is N-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide
PubChem CID106129299
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC NameN-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCC(Cl)CCCNC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C11H15ClN2O2/c1-8(12)4-3-7-13-11(16)9-5-2-6-10(15)14-9/h2,5-6,8H,3-4,7H2,1H3,(H,13,16)(H,14,15)
InChIKeyYVADNWJXBISMAB-UHFFFAOYSA-N
XLogP1.51
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide
CID 107261519
N-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261784
N-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040308
N-(3-methylbutan-2-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 103846215
6-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-1H-pyridine-2-carboxamide
CID 131890612
2,3-dichloro-N-(4-chloropentyl)benzamide
CID 106129757
N-[2-(2-methoxyethylamino)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040293
6-oxo-N-(2-sulfamoylethyl)-1H-pyridine-2-carboxamide
CID 107261803
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261496
N-[2-(methylamino)-2-oxoethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261659
6-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-pyridine-2-carboxamide
CID 107261483
N-(4-chloropentyl)-2-iodobenzamide
CID 106129201

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide (CID 106129299) is N-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide is CC(Cl)CCCNC(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is YVADNWJXBISMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-8(12)4-3-7-13-11(16)9-5-2-6-10(15)14-9/h2,5-6,8H,3-4,7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide?
N-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 106129299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).