5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide

C22H23N3O — CID 109232809

IUPAC5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCc1cccc(Nc2cncc(C(=O)NC(C)c3ccccc3)c2)c1C
InChIInChI=1S/C22H23N3O/c1-15-8-7-11-21(16(15)2)25-20-12-19(13-23-14-20)22(26)24-17(3)18-9-5-4-6-10-18/h4-14,17,25H,1-3H3,(H,24,26)
InChIKeyMXXXJJMBRXTDAV-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.93
Rot. Bonds5

About 5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide

5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide (PubChem CID 109232809) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
PubChem CID109232809
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCc1cccc(Nc2cncc(C(=O)NC(C)c3ccccc3)c2)c1C
InChIInChI=1S/C22H23N3O/c1-15-8-7-11-21(16(15)2)25-20-12-19(13-23-14-20)22(26)24-17(3)18-9-5-4-6-10-18/h4-14,17,25H,1-3H3,(H,24,26)
InChIKeyMXXXJJMBRXTDAV-UHFFFAOYSA-N
XLogP4.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651
5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232823
5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232865
5-(4-bromoanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232831
5-anilino-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109241546
methyl 3-[[5-(1-phenylethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109232851
5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109243282
5-(4-methoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232834
5-(2,3-dimethylanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109243291
N-(1-phenylethyl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109232839
3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105087
5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232350

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide (CID 109232809) is 5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide is Cc1cccc(Nc2cncc(C(=O)NC(C)c3ccccc3)c2)c1C.
What is the InChIKey of 5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
The InChIKey is MXXXJJMBRXTDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-8-7-11-21(16(15)2)25-20-12-19(13-23-14-20)22(26)24-17(3)18-9-5-4-6-10-18/h4-14,17,25H,1-3H3,(H,24,26).
What are the key properties of 5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide?
5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylanilino)-N-(1-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109232809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).