N-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide

C22H23N3O — CID 109197573

IUPACN-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCC(C)c1ccccc1Nc1ccc(C(=O)N(C)c2ccccc2)nc1
InChIInChI=1S/C22H23N3O/c1-16(2)19-11-7-8-12-20(19)24-17-13-14-21(23-15-17)22(26)25(3)18-9-5-4-6-10-18/h4-16,24H,1-3H3
InChIKeyOUZTZFANQBQIAL-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.23
Rot. Bonds5

About N-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide

N-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide (PubChem CID 109197573) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
PubChem CID109197573
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCC(C)c1ccccc1Nc1ccc(C(=O)N(C)c2ccccc2)nc1
InChIInChI=1S/C22H23N3O/c1-16(2)19-11-7-8-12-20(19)24-17-13-14-21(23-15-17)22(26)25(3)18-9-5-4-6-10-18/h4-16,24H,1-3H3
InChIKeyOUZTZFANQBQIAL-UHFFFAOYSA-N
XLogP5.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-ethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197592
5-(4-acetylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197604
5-(3,5-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197567
N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192889
N-methyl-5-(2-morpholin-4-ylanilino)-N-phenylpyridine-2-carboxamide
CID 109197615
5-(3,5-dichloroanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197632
methyl 4-[[6-[methyl(phenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109197609
N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198647
N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109183920
5-(2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197597
N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198658
N-methyl-N-phenyl-5-(propylamino)pyridine-2-carboxamide
CID 109179331

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide (CID 109197573) is N-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide is CC(C)c1ccccc1Nc1ccc(C(=O)N(C)c2ccccc2)nc1.
What is the InChIKey of N-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide?
The InChIKey is OUZTZFANQBQIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16(2)19-11-7-8-12-20(19)24-17-13-14-21(23-15-17)22(26)25(3)18-9-5-4-6-10-18/h4-16,24H,1-3H3.
What are the key properties of N-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide?
N-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109197573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).