N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide

C21H21N3O — CID 109218754

IUPACN-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCC(C)c1ccc(Nc2ccnc(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C21H21N3O/c1-15(2)16-8-10-18(11-9-16)23-19-12-13-22-20(14-19)21(25)24-17-6-4-3-5-7-17/h3-15H,1-2H3,(H,22,23)(H,24,25)
InChIKeyJGUFPFMQGXSTJA-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.20
Rot. Bonds5

About N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide

N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide (PubChem CID 109218754) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
PubChem CID109218754
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCC(C)c1ccc(Nc2ccnc(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C21H21N3O/c1-15(2)16-8-10-18(11-9-16)23-19-12-13-22-20(14-19)21(25)24-17-6-4-3-5-7-17/h3-15H,1-2H3,(H,22,23)(H,24,25)
InChIKeyJGUFPFMQGXSTJA-UHFFFAOYSA-N
XLogP5.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109220451
methyl 4-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220466
4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739
4-hydrazinyl-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 62238190
4-anilino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109218921
4-(3-chloro-4-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218768
4-(N-methylanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109219436
4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 86695853
4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109201983
N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109203336
N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881
4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide (CID 109218754) is N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide is CC(C)c1ccc(Nc2ccnc(C(=O)Nc3ccccc3)c2)cc1.
What is the InChIKey of N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide?
The InChIKey is JGUFPFMQGXSTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-15(2)16-8-10-18(11-9-16)23-19-12-13-22-20(14-19)21(25)24-17-6-4-3-5-7-17/h3-15H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide?
N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109218754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).