N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide

C18H23N3O — CID 109201226

IUPACN-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C18H23N3O/c1-4-10-19-14-9-11-20-17(12-14)18(22)21-16-8-6-5-7-15(16)13(2)3/h5-9,11-13H,4,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyBNCCHFLZOTZHMX-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.28
Rot. Bonds6

About N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide

N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide (PubChem CID 109201226) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide
PubChem CID109201226
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2ccccc2C(C)C)c1
InChIInChI=1S/C18H23N3O/c1-4-10-19-14-9-11-20-17(12-14)18(22)21-16-8-6-5-7-15(16)13(2)3/h5-9,11-13H,4,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyBNCCHFLZOTZHMX-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109213682
N-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide
CID 109201269
N-(2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62166215
N-(2-ethoxyphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201237
4-(propylamino)-N-pyridin-2-ylpyridine-2-carboxamide
CID 55042694
N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 63499869
2-N-butyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109079471
N-(2-ethylphenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203139
N-(2,6-difluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62165268
N-(4-ethoxyphenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220430
N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220437
N-pentan-2-yl-4-(propylamino)pyridine-2-carboxamide
CID 62185598

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide (CID 109201226) is N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)Nc2ccccc2C(C)C)c1.
What is the InChIKey of N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide?
The InChIKey is BNCCHFLZOTZHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-10-19-14-9-11-20-17(12-14)18(22)21-16-8-6-5-7-15(16)13(2)3/h5-9,11-13H,4,10H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide?
N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109201226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).