6-methyl-2-(4-methylanilino)-N-propylpyridine-3-carboxamide

C17H21N3O — CID 3061041

IUPAC6-methyl-2-(4-methylanilino)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(C)nc1Nc1ccc(C)cc1
InChIInChI=1S/C17H21N3O/c1-4-11-18-17(21)15-10-7-13(3)19-16(15)20-14-8-5-12(2)6-9-14/h5-10H,4,11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyVLOTZSPLWUUABP-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.58
Rot. Bonds5

About 6-methyl-2-(4-methylanilino)-N-propylpyridine-3-carboxamide

6-methyl-2-(4-methylanilino)-N-propylpyridine-3-carboxamide (PubChem CID 3061041) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-methyl-2-(4-methylanilino)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(4-methylanilino)-N-propylpyridine-3-carboxamide
PubChem CID3061041
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name6-methyl-2-(4-methylanilino)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(C)nc1Nc1ccc(C)cc1
InChIInChI=1S/C17H21N3O/c1-4-11-18-17(21)15-10-7-13(3)19-16(15)20-14-8-5-12(2)6-9-14/h5-10H,4,11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyVLOTZSPLWUUABP-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylanilino)-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-(4-methylanilino)-N-propylpyridine-3-carboxamide (CID 3061041) is 6-methyl-2-(4-methylanilino)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-(4-methylanilino)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-(4-methylanilino)-N-propylpyridine-3-carboxamide is CCCNC(=O)c1ccc(C)nc1Nc1ccc(C)cc1.
What is the InChIKey of 6-methyl-2-(4-methylanilino)-N-propylpyridine-3-carboxamide?
The InChIKey is VLOTZSPLWUUABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-11-18-17(21)15-10-7-13(3)19-16(15)20-14-8-5-12(2)6-9-14/h5-10H,4,11H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 6-methyl-2-(4-methylanilino)-N-propylpyridine-3-carboxamide?
6-methyl-2-(4-methylanilino)-N-propylpyridine-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylanilino)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 3061041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).