N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide

C23H25N3O2 — CID 109232839

IUPACN-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(Nc2cncc(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C23H25N3O2/c1-16(2)28-22-11-9-20(10-12-22)26-21-13-19(14-24-15-21)23(27)25-17(3)18-7-5-4-6-8-18/h4-17,26H,1-3H3,(H,25,27)
InChIKeyOAUHPKWRUYSBRE-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.10
Rot. Bonds7

About N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide

N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide (PubChem CID 109232839) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
PubChem CID109232839
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(Nc2cncc(C(=O)NC(C)c3ccccc3)c2)cc1
InChIInChI=1S/C23H25N3O2/c1-16(2)28-22-11-9-20(10-12-22)26-21-13-19(14-24-15-21)23(27)25-17(3)18-7-5-4-6-8-18/h4-17,26H,1-3H3,(H,25,27)
InChIKeyOAUHPKWRUYSBRE-UHFFFAOYSA-N
XLogP5.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232834
5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232823
5-(4-bromoanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232831
5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232865
5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243870
methyl 3-[[5-(1-phenylethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109232851
N-(3-chlorophenyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109244480
5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232809
N-cyclohexyl-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109226756
5-(2,6-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243191
3-N-(3-methoxyphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105396
3-N-(4-ethylphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105379

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide (CID 109232839) is N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide is CC(C)Oc1ccc(Nc2cncc(C(=O)NC(C)c3ccccc3)c2)cc1.
What is the InChIKey of N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
The InChIKey is OAUHPKWRUYSBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16(2)28-22-11-9-20(10-12-22)26-21-13-19(14-24-15-21)23(27)25-17(3)18-7-5-4-6-8-18/h4-17,26H,1-3H3,(H,25,27).
What are the key properties of N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide?
N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109232839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).