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

C17H21N3O — CID 104640621

IUPACN-methyl-N-(3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)N(C)c2cccc(C)c2)nc1
InChIInChI=1S/C17H21N3O/c1-4-10-18-14-8-9-16(19-12-14)17(21)20(3)15-7-5-6-13(2)11-15/h5-9,11-12,18H,4,10H2,1-3H3
InChIKeyWYPTZFFCIPLUSU-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.49
Rot. Bonds5

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

N-methyl-N-(3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide (PubChem CID 104640621) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
PubChem CID104640621
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-methyl-N-(3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)N(C)c2cccc(C)c2)nc1
InChIInChI=1S/C17H21N3O/c1-4-10-18-14-8-9-16(19-12-14)17(21)20(3)15-7-5-6-13(2)11-15/h5-9,11-12,18H,4,10H2,1-3H3
InChIKeyWYPTZFFCIPLUSU-UHFFFAOYSA-N
XLogP3.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-phenyl-5-(propylamino)pyridine-2-carboxamide
CID 109179331
N-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide
CID 62175774
N-methyl-N-(3-methylphenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62174886
5-[2-(dimethylamino)ethylamino]-N-methyl-N-phenylpyridine-2-carboxamide
CID 109185536
N-methyl-N-(3-methylphenyl)-3-(propylamino)pyridine-4-carboxamide
CID 105069128
N-(3,5-dimethylphenyl)-N-methyl-5-(methylamino)pyridine-2-carboxamide
CID 104640795
N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271148
N-(2-hydroxy-2-methylpropyl)-N-methyl-5-(propylamino)pyridine-2-carboxamide
CID 104641727
5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197567
2-(3-methylphenyl)-N-[5-(propylamino)-2-pyridinyl]acetamide
CID 113023476
N-methyl-N-phenyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271049
N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109188298

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-(3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide (CID 104640621) is N-methyl-N-(3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(C(=O)N(C)c2cccc(C)c2)nc1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide?
The InChIKey is WYPTZFFCIPLUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-10-18-14-8-9-16(19-12-14)17(21)20(3)15-7-5-6-13(2)11-15/h5-9,11-12,18H,4,10H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide?
N-methyl-N-(3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104640621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).