N-methyl-N-(3-methylphenyl)-3-(propylamino)pyridine-4-carboxamide

C17H21N3O — CID 105069128

IUPACN-methyl-N-(3-methylphenyl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(C)c1cccc(C)c1
InChIInChI=1S/C17H21N3O/c1-4-9-19-16-12-18-10-8-15(16)17(21)20(3)14-7-5-6-13(2)11-14/h5-8,10-12,19H,4,9H2,1-3H3
InChIKeyZAORGUGPHKONQX-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.49
Rot. Bonds5

About N-methyl-N-(3-methylphenyl)-3-(propylamino)pyridine-4-carboxamide

N-methyl-N-(3-methylphenyl)-3-(propylamino)pyridine-4-carboxamide (PubChem CID 105069128) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-3-(propylamino)pyridine-4-carboxamide
PubChem CID105069128
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-methyl-N-(3-methylphenyl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(C)c1cccc(C)c1
InChIInChI=1S/C17H21N3O/c1-4-9-19-16-12-18-10-8-15(16)17(21)20(3)14-7-5-6-13(2)11-14/h5-8,10-12,19H,4,9H2,1-3H3
InChIKeyZAORGUGPHKONQX-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-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937266
4-hydrazinyl-N-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 81256562
N-methyl-N-(3-methylphenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62174886
N-methyl-N-(3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104640621
N-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide
CID 62175774
N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937503
N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071339
N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide
CID 105068541
N-(cyclopropylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068880
3-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 105069144
N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071302
N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068056

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-(3-methylphenyl)-3-(propylamino)pyridine-4-carboxamide (CID 105069128) is N-methyl-N-(3-methylphenyl)-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)N(C)c1cccc(C)c1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is ZAORGUGPHKONQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-9-19-16-12-18-10-8-15(16)17(21)20(3)14-7-5-6-13(2)11-14/h5-8,10-12,19H,4,9H2,1-3H3.
What are the key properties of N-methyl-N-(3-methylphenyl)-3-(propylamino)pyridine-4-carboxamide?
N-methyl-N-(3-methylphenyl)-3-(propylamino)pyridine-4-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)-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105069128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).