5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide

C21H29N3O — CID 109196630

IUPAC5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCCCN(CCC)c1ccc(C(=O)Nc2ccccc2C(C)C)nc1
InChIInChI=1S/C21H29N3O/c1-5-13-24(14-6-2)17-11-12-20(22-15-17)21(25)23-19-10-8-7-9-18(19)16(3)4/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,23,25)
InChIKeyGBHYXJHGEIVSQW-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.08
Rot. Bonds8

About 5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide

5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide (PubChem CID 109196630) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
PubChem CID109196630
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCCCN(CCC)c1ccc(C(=O)Nc2ccccc2C(C)C)nc1
InChIInChI=1S/C21H29N3O/c1-5-13-24(14-6-2)17-11-12-20(22-15-17)21(25)23-19-10-8-7-9-18(19)16(3)4/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,23,25)
InChIKeyGBHYXJHGEIVSQW-UHFFFAOYSA-N
XLogP5.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 63724718
5-(diethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194754
N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180529
6-(diethylamino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109124304
1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056611
5-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109290312
N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109195430
5-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109191897
1-[5-(dipropylamino)-2-pyridinyl]propan-1-one
CID 112583475
5-(diethylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109238915
methyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109196665
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109188310

Frequently Asked Questions

What is the IUPAC name of 5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide (CID 109196630) is 5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide is CCCN(CCC)c1ccc(C(=O)Nc2ccccc2C(C)C)nc1.
What is the InChIKey of 5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The InChIKey is GBHYXJHGEIVSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-5-13-24(14-6-2)17-11-12-20(22-15-17)21(25)23-19-10-8-7-9-18(19)16(3)4/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,23,25).
What are the key properties of 5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipropylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109196630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).