N-(4-chlorobutan-2-yl)pyridine-4-carboxamide

C10H13ClN2O — CID 83178432

IUPACN-(4-chlorobutan-2-yl)pyridine-4-carboxamide
SMILESCC(CCCl)NC(=O)c1ccncc1
InChIInChI=1S/C10H13ClN2O/c1-8(2-5-11)13-10(14)9-3-6-12-7-4-9/h3-4,6-8H,2,5H2,1H3,(H,13,14)
InChIKeyPJXIUKMFWZAMIL-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.83
Rot. Bonds4

About N-(4-chlorobutan-2-yl)pyridine-4-carboxamide

N-(4-chlorobutan-2-yl)pyridine-4-carboxamide (PubChem CID 83178432) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is N-(4-chlorobutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorobutan-2-yl)pyridine-4-carboxamide
PubChem CID83178432
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC NameN-(4-chlorobutan-2-yl)pyridine-4-carboxamide
SMILESCC(CCCl)NC(=O)c1ccncc1
InChIInChI=1S/C10H13ClN2O/c1-8(2-5-11)13-10(14)9-3-6-12-7-4-9/h3-4,6-8H,2,5H2,1H3,(H,13,14)
InChIKeyPJXIUKMFWZAMIL-UHFFFAOYSA-N
XLogP1.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methylhexan-2-yl)pyridine-4-carboxamide
CID 42890124
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
N-(4-chlorobutan-2-yl)-3,5-dihydroxybenzamide
CID 107706110
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
N-(4-chlorobutan-2-yl)-3,5-difluorobenzamide
CID 83180651
N-(4-chlorobutan-2-yl)-1H-pyrazole-5-carboxamide
CID 83179850
N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide
CID 114302740
N-(4-chlorobutan-2-yl)-3-iodobenzamide
CID 83187759
4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
CID 16777118
N-(1-chloropropan-2-yl)pyridazine-4-carboxamide
CID 104672603
N-(4-chlorobutan-2-yl)-2-ethylbenzamide
CID 83179695
N-(1-chloropropan-2-yl)benzamide
CID 3683093

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(4-chlorobutan-2-yl)pyridine-4-carboxamide (CID 83178432) is N-(4-chlorobutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chlorobutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-chlorobutan-2-yl)pyridine-4-carboxamide is CC(CCCl)NC(=O)c1ccncc1.
What is the InChIKey of N-(4-chlorobutan-2-yl)pyridine-4-carboxamide?
The InChIKey is PJXIUKMFWZAMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-8(2-5-11)13-10(14)9-3-6-12-7-4-9/h3-4,6-8H,2,5H2,1H3,(H,13,14).
What are the key properties of N-(4-chlorobutan-2-yl)pyridine-4-carboxamide?
N-(4-chlorobutan-2-yl)pyridine-4-carboxamide has a molecular weight of 212.68 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 83178432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).