5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide

C13H20ClN3O — CID 55042480

IUPAC5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)N(C)CCC)cc1Cl
InChIInChI=1S/C13H20ClN3O/c1-4-6-15-12-11(14)8-10(9-16-12)13(18)17(3)7-5-2/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyUYEXLSMKFJUVCC-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.04
Rot. Bonds6

About 5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide

5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide (PubChem CID 55042480) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide
PubChem CID55042480
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)N(C)CCC)cc1Cl
InChIInChI=1S/C13H20ClN3O/c1-4-6-15-12-11(14)8-10(9-16-12)13(18)17(3)7-5-2/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyUYEXLSMKFJUVCC-UHFFFAOYSA-N
XLogP3.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62180209
5-chloro-N-methyl-6-(methylamino)-N-propylpyridine-3-carboxamide
CID 62168287
5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62181483
5-chloro-N-[2-(dimethylamino)ethyl]-6-(ethylamino)-N-propylpyridine-3-carboxamide
CID 62175880
5-chloro-N-(2-cyanoethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62170876
5-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-3-carboxamide
CID 62169292
N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 62171459
5-chloro-N-methyl-N-(oxolan-3-yl)-6-(propylamino)pyridine-3-carboxamide
CID 82743264
5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62172627
5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide
CID 82949525
5-chloro-N-(2-ethoxyethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide
CID 81073870
5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide
CID 62414075

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide (CID 55042480) is 5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(C(=O)N(C)CCC)cc1Cl.
What is the InChIKey of 5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is UYEXLSMKFJUVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-6-15-12-11(14)8-10(9-16-12)13(18)17(3)7-5-2/h8-9H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide?
5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 269.78 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 55042480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).