N-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide

C17H21N3O — CID 109223059

IUPACN-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cncc(C(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H21N3O/c1-4-5-19-16-9-14(10-18-11-16)17(21)20-15-7-12(2)6-13(3)8-15/h6-11,19H,4-5H2,1-3H3,(H,20,21)
InChIKeyOFTXJISIJGEYCU-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.77
Rot. Bonds5

About N-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide

N-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide (PubChem CID 109223059) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide
PubChem CID109223059
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cncc(C(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C17H21N3O/c1-4-5-19-16-9-14(10-18-11-16)17(21)20-15-7-12(2)6-13(3)8-15/h6-11,19H,4-5H2,1-3H3,(H,20,21)
InChIKeyOFTXJISIJGEYCU-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

5-(propylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109223068
N-(2-bromophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223122
N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233459
N-(2-fluorophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223073
5-(propylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223100
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970
5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532378
5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762
5-(4-bromoanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109243019
N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 83408824
N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240144
5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223099

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide (CID 109223059) is N-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide is CCCNc1cncc(C(=O)Nc2cc(C)cc(C)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide?
The InChIKey is OFTXJISIJGEYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-5-19-16-9-14(10-18-11-16)17(21)20-15-7-12(2)6-13(3)8-15/h6-11,19H,4-5H2,1-3H3,(H,20,21).
What are the key properties of N-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide?
N-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-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-(3,5-dimethylphenyl)-5-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109223059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).