5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide

C18H23N3O — CID 109222867

IUPAC5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(Nc2ccccc2C(C)C)c1
InChIInChI=1S/C18H23N3O/c1-4-9-20-18(22)14-10-15(12-19-11-14)21-17-8-6-5-7-16(17)13(2)3/h5-8,10-13,21H,4,9H2,1-3H3,(H,20,22)
InChIKeyLWZKZQWVKGVUPC-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.09
Rot. Bonds6

About 5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide

5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide (PubChem CID 109222867) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide
PubChem CID109222867
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(Nc2ccccc2C(C)C)c1
InChIInChI=1S/C18H23N3O/c1-4-9-20-18(22)14-10-15(12-19-11-14)21-17-8-6-5-7-16(17)13(2)3/h5-8,10-13,21H,4,9H2,1-3H3,(H,20,22)
InChIKeyLWZKZQWVKGVUPC-UHFFFAOYSA-N
XLogP4.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide
CID 109222930
5-(2-fluoroanilino)-N-propylpyridine-3-carboxamide
CID 109222874
5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224053
N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109223659
N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109232282
N-[2-(1H-indol-3-yl)ethyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109237659
N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109239521
N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243797
5-(2,3-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222945
4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109042975
5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109225408
5-(2,4-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222941

Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide?
The IUPAC name of 5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide (CID 109222867) is 5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cncc(Nc2ccccc2C(C)C)c1.
What is the InChIKey of 5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide?
The InChIKey is LWZKZQWVKGVUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-9-20-18(22)14-10-15(12-19-11-14)21-17-8-6-5-7-16(17)13(2)3/h5-8,10-13,21H,4,9H2,1-3H3,(H,20,22).
What are the key properties of 5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide?
5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 109222867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).