4-chloro-N-decyl-6-methylpyridine-3-carboxamide

C17H27ClN2O — CID 81227523

IUPAC4-chloro-N-decyl-6-methylpyridine-3-carboxamide
SMILESCCCCCCCCCCNC(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C17H27ClN2O/c1-3-4-5-6-7-8-9-10-11-19-17(21)15-13-20-14(2)12-16(15)18/h12-13H,3-11H2,1-2H3,(H,19,21)
InChIKeyCPPJFKYUSLIWDR-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.91
Rot. Bonds10

About 4-chloro-N-decyl-6-methylpyridine-3-carboxamide

4-chloro-N-decyl-6-methylpyridine-3-carboxamide (PubChem CID 81227523) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 4-chloro-N-decyl-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-decyl-6-methylpyridine-3-carboxamide
PubChem CID81227523
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name4-chloro-N-decyl-6-methylpyridine-3-carboxamide
SMILESCCCCCCCCCCNC(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C17H27ClN2O/c1-3-4-5-6-7-8-9-10-11-19-17(21)15-13-20-14(2)12-16(15)18/h12-13H,3-11H2,1-2H3,(H,19,21)
InChIKeyCPPJFKYUSLIWDR-UHFFFAOYSA-N
XLogP4.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide
CID 81225395
N-(4-amino-4-oxobutyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226130
4-hydrazinyl-6-methyl-N-pentylpyridine-3-carboxamide
CID 81255877
4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112701067
2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111
2-amino-5-chloro-N-octylpyridine-4-carboxamide
CID 114924255
2,4-dichloro-N-nonylbenzamide
CID 3596264
2-chloro-4-methyl-N-pentylbenzamide
CID 99835956
4-chloro-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 81226293
4-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225265
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235324

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-decyl-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-decyl-6-methylpyridine-3-carboxamide (CID 81227523) is 4-chloro-N-decyl-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-decyl-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-decyl-6-methylpyridine-3-carboxamide is CCCCCCCCCCNC(=O)c1cnc(C)cc1Cl.
What is the InChIKey of 4-chloro-N-decyl-6-methylpyridine-3-carboxamide?
The InChIKey is CPPJFKYUSLIWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-3-4-5-6-7-8-9-10-11-19-17(21)15-13-20-14(2)12-16(15)18/h12-13H,3-11H2,1-2H3,(H,19,21).
What are the key properties of 4-chloro-N-decyl-6-methylpyridine-3-carboxamide?
4-chloro-N-decyl-6-methylpyridine-3-carboxamide has a molecular weight of 310.87 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-decyl-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81227523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).