N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide

C16H18ClN3O — CID 109179356

IUPACN-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2cccc(Cl)c2C)nc1
InChIInChI=1S/C16H18ClN3O/c1-3-9-18-12-7-8-15(19-10-12)16(21)20-14-6-4-5-13(17)11(14)2/h4-8,10,18H,3,9H2,1-2H3,(H,20,21)
InChIKeyYBAKFTZIDMFBAV-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.12
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide

N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide (PubChem CID 109179356) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
PubChem CID109179356
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2cccc(Cl)c2C)nc1
InChIInChI=1S/C16H18ClN3O/c1-3-9-18-12-7-8-15(19-10-12)16(21)20-14-6-4-5-13(17)11(14)2/h4-8,10,18H,3,9H2,1-2H3,(H,20,21)
InChIKeyYBAKFTZIDMFBAV-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-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641911
N-(2-methyl-3-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641691
N-(2-methoxyphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179366
5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109199329
N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 62186612
N-(3-chloro-2-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189031
N-(3-methyl-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641367
N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 109179268
N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191893
N-(2,5-difluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104639737
N-(3-fluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179399
N-[2,6-di(propan-2-yl)phenyl]-5-(propylamino)pyridine-2-carboxamide
CID 109179407

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide (CID 109179356) is N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(C(=O)Nc2cccc(Cl)c2C)nc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide?
The InChIKey is YBAKFTZIDMFBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-9-18-12-7-8-15(19-10-12)16(21)20-14-6-4-5-13(17)11(14)2/h4-8,10,18H,3,9H2,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide?
N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-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-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109179356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).