4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide

C11H15ClN2O2 — CID 81225395

IUPAC4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-8-6-10(12)9(7-14-8)11(15)13-4-3-5-16-2/h6-7H,3-5H2,1-2H3,(H,13,15)
InChIKeyNOKGQFPBNGGTKO-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.81
Rot. Bonds5

About 4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide

4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide (PubChem CID 81225395) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide
PubChem CID81225395
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide
SMILESCOCCCNC(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-8-6-10(12)9(7-14-8)11(15)13-4-3-5-16-2/h6-7H,3-5H2,1-2H3,(H,13,15)
InChIKeyNOKGQFPBNGGTKO-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-decyl-6-methylpyridine-3-carboxamide
CID 81227523
N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226130
N-(3-methoxypropyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81235727
2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid
CID 114036991
4-chloro-6-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyridine-3-carboxamide
CID 81227781
N-(2-methoxyethyl)-4,6-dimethylpyridine-3-carboxamide
CID 123301076
4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112701067
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
4-hydrazinyl-N-[3-(2-methoxyethoxy)propyl]-6-methylpyridine-3-carboxamide
CID 114098389
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
4-chloro-N-(2-methoxyethyl)-N,6-dimethylpyridine-3-carboxamide
CID 81226512
4-chloro-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 81226552

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide (CID 81225395) is 4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide is COCCCNC(=O)c1cnc(C)cc1Cl.
What is the InChIKey of 4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide?
The InChIKey is NOKGQFPBNGGTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-8-6-10(12)9(7-14-8)11(15)13-4-3-5-16-2/h6-7H,3-5H2,1-2H3,(H,13,15).
What are the key properties of 4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide?
4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81225395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).