2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide

C11H15ClN2O2 — CID 62722481

IUPAC2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
SMILESCOCCC(C)NC(=O)c1cccnc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-8(5-7-16-2)14-11(15)9-4-3-6-13-10(9)12/h3-4,6,8H,5,7H2,1-2H3,(H,14,15)
InChIKeyWQGJUDNVJZUNTH-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.89
Rot. Bonds5

About 2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide

2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide (PubChem CID 62722481) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
PubChem CID62722481
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
SMILESCOCCC(C)NC(=O)c1cccnc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-8(5-7-16-2)14-11(15)9-4-3-6-13-10(9)12/h3-4,6,8H,5,7H2,1-2H3,(H,14,15)
InChIKeyWQGJUDNVJZUNTH-UHFFFAOYSA-N
XLogP1.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate
CID 102561066
2-chloro-N-propan-2-yloxypyridine-3-carboxamide
CID 131020974
2-chloro-N-(methoxymethyl)pyridine-3-carboxamide
CID 71433413
2-chloro-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide
CID 63836533
1-chloro-N-(4-methoxybutan-2-yl)isoquinoline-4-carboxamide
CID 106766226
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 61073257
2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide
CID 17328691
2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103892342
N-[1-(2-chloro-3-pyridinyl)ethyl]-4-methoxybutan-2-amine
CID 115715554
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 61479880

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide (CID 62722481) is 2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide is COCCC(C)NC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide?
The InChIKey is WQGJUDNVJZUNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-8(5-7-16-2)14-11(15)9-4-3-6-13-10(9)12/h3-4,6,8H,5,7H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide?
2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 62722481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).