N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide

C17H21N3O — CID 62173356

IUPACN-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H21N3O/c1-4-8-18-14-7-9-19-16(11-14)17(21)20-15-6-5-12(2)13(3)10-15/h5-7,9-11H,4,8H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyVRUCKTOYKPICKD-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.77
Rot. Bonds5

About N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide

N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide (PubChem CID 62173356) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
PubChem CID62173356
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H21N3O/c1-4-8-18-14-7-9-19-16(11-14)17(21)20-15-6-5-12(2)13(3)10-15/h5-7,9-11H,4,8H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyVRUCKTOYKPICKD-UHFFFAOYSA-N
XLogP3.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201249
4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109209829
N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 63499869
4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109201247
N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 107578587
N-(3,4-dimethylphenyl)-4-methylpyridine-2-carboxamide
CID 110857354
4-(ethylamino)-N-(4-methoxy-3-methylphenyl)pyridine-2-carboxamide
CID 62181190
N-(4-bromo-2-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62186935
N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 107370428
4-(propylamino)-N-pyridin-2-ylpyridine-2-carboxamide
CID 55042694
N-(2,6-difluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62165268
4-(3,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109219903

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide (CID 62173356) is N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide?
The InChIKey is VRUCKTOYKPICKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-8-18-14-7-9-19-16(11-14)17(21)20-15-6-5-12(2)13(3)10-15/h5-7,9-11H,4,8H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide?
N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62173356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).