N-(1-chloro-3-methylpentan-3-yl)-6-oxo-1H-pyridine-2-carboxamide

C12H17ClN2O2 — CID 106168663

IUPACN-(1-chloro-3-methylpentan-3-yl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCCC(C)(CCCl)NC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H17ClN2O2/c1-3-12(2,7-8-13)15-11(17)9-5-4-6-10(16)14-9/h4-6H,3,7-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyFVCHSNHTSYFPKF-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.90
Rot. Bonds5

About N-(1-chloro-3-methylpentan-3-yl)-6-oxo-1H-pyridine-2-carboxamide

N-(1-chloro-3-methylpentan-3-yl)-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 106168663) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)-6-oxo-1H-pyridine-2-carboxamide
PubChem CID106168663
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCCC(C)(CCCl)NC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H17ClN2O2/c1-3-12(2,7-8-13)15-11(17)9-5-4-6-10(16)14-9/h4-6H,3,7-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyFVCHSNHTSYFPKF-UHFFFAOYSA-N
XLogP1.90
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-3-methylpentan-3-yl)-2,6-dihydroxybenzamide
CID 106168770
N-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide
CID 75498993
N-(1-chloro-3-methylpentan-3-yl)-1-methylpyrazole-3-carboxamide
CID 106168564
N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide
CID 106168112
N-(1-chloro-3-methylpentan-3-yl)-1-methylindazole-3-carboxamide
CID 106168249
N-(1-chloro-3-methylpentan-3-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 106168152
N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 106168405
N-(1-hydroxy-3-methylpentan-3-yl)quinoline-5-carboxamide
CID 103946162
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
N-(1-chloro-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 114153136
N-(1-chloro-3-methylpentan-3-yl)-2-fluoro-4-hydroxybenzamide
CID 106168256
2-amino-3-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164041

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-6-oxo-1H-pyridine-2-carboxamide (CID 106168663) is N-(1-chloro-3-methylpentan-3-yl)-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)-6-oxo-1H-pyridine-2-carboxamide is CCC(C)(CCCl)NC(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is FVCHSNHTSYFPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-12(2,7-8-13)15-11(17)9-5-4-6-10(16)14-9/h4-6H,3,7-8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)-6-oxo-1H-pyridine-2-carboxamide?
N-(1-chloro-3-methylpentan-3-yl)-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 256.73 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylpentan-3-yl)-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 106168663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).