N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide

C11H15ClN2O2 — CID 106155771

IUPACN-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide
SMILESCOCC(CCCl)NC(=O)c1ccccn1
InChIInChI=1S/C11H15ClN2O2/c1-16-8-9(5-6-12)14-11(15)10-4-2-3-7-13-10/h2-4,7,9H,5-6,8H2,1H3,(H,14,15)
InChIKeyBUGSNVWSRFPHAN-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.46
Rot. Bonds6

About N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide

N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide (PubChem CID 106155771) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide
PubChem CID106155771
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC NameN-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide
SMILESCOCC(CCCl)NC(=O)c1ccccn1
InChIInChI=1S/C11H15ClN2O2/c1-16-8-9(5-6-12)14-11(15)10-4-2-3-7-13-10/h2-4,7,9H,5-6,8H2,1H3,(H,14,15)
InChIKeyBUGSNVWSRFPHAN-UHFFFAOYSA-N
XLogP1.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-1-methoxybutan-2-yl)benzamide
CID 106154813
N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide
CID 106155760
N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide
CID 106155330
N-(4-chloro-1-methoxybutan-2-yl)-2-methylpyrazole-3-carboxamide
CID 106154825
N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide
CID 106155031
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
N-(1-bromobutan-2-yl)pyridine-2-carboxamide
CID 114307782
6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid
CID 134329104
N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide
CID 106155716
N-(4-chloro-1-methoxybutan-2-yl)-3-methoxy-4-methylbenzamide
CID 114151199
5-methoxy-5-oxo-2-(pyridine-2-carbonylamino)pentanoic acid
CID 82786131
N-(4-chloro-1-methoxybutan-2-yl)-2-naphthalen-2-ylacetamide
CID 106155528

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide (CID 106155771) is N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide is COCC(CCCl)NC(=O)c1ccccn1.
What is the InChIKey of N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide?
The InChIKey is BUGSNVWSRFPHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-16-8-9(5-6-12)14-11(15)10-4-2-3-7-13-10/h2-4,7,9H,5-6,8H2,1H3,(H,14,15).
What are the key properties of N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide?
N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 106155771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).