N-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide

C16H18ClN3O — CID 66254887

IUPACN-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2c(C)cccc2Cl)ccn1
InChIInChI=1S/C16H18ClN3O/c1-3-8-18-14-10-12(7-9-19-14)16(21)20-15-11(2)5-4-6-13(15)17/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyBTTHRLMJECNGCH-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.12
Rot. Bonds5

About N-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide

N-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide (PubChem CID 66254887) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide
PubChem CID66254887
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2c(C)cccc2Cl)ccn1
InChIInChI=1S/C16H18ClN3O/c1-3-8-18-14-10-12(7-9-19-14)16(21)20-15-11(2)5-4-6-13(15)17/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyBTTHRLMJECNGCH-UHFFFAOYSA-N
XLogP4.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62165900
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 103094851
2-(ethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 62184923
N-(3-methylphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62172134
N-(2,4-dichlorophenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62186931
N-(5-bromo-2-chlorophenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62909985
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975
N-(3-methyl-4-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 63670386
N-(3-fluorophenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62166192
N-(2,6-dimethylphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62247235
methyl 4-chloro-3-[[2-(propylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165128
N-(2-chloro-6-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 66254574

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide (CID 66254887) is N-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)Nc2c(C)cccc2Cl)ccn1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is BTTHRLMJECNGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-8-18-14-10-12(7-9-19-14)16(21)20-15-11(2)5-4-6-13(15)17/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide?
N-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 66254887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).