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

C22H23N3O — CID 109219436

IUPAC4-(N-methylanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(N(C)c3ccccc3)ccn2)cc1
InChIInChI=1S/C22H23N3O/c1-16(2)17-9-11-18(12-10-17)24-22(26)21-15-20(13-14-23-21)25(3)19-7-5-4-6-8-19/h4-16H,1-3H3,(H,24,26)
InChIKeyZQQCKKFZUBJJMH-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.23
Rot. Bonds5

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

4-(N-methylanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide (PubChem CID 109219436) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-(N-methylanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(N-methylanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
PubChem CID109219436
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name4-(N-methylanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(N(C)c3ccccc3)ccn2)cc1
InChIInChI=1S/C22H23N3O/c1-16(2)17-9-11-18(12-10-17)24-22(26)21-15-20(13-14-23-21)25(3)19-7-5-4-6-8-19/h4-16H,1-3H3,(H,24,26)
InChIKeyZQQCKKFZUBJJMH-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

N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219474
N-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219450
N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109218754
4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 86695853
N-(2-methoxyphenyl)-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219451
4-hydrazinyl-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 62238190
4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092487
4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202165
2-N-(2-chlorophenyl)-4-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092468
N-(4-acetamidophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220336
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730066
4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109217263

Frequently Asked Questions

What is the IUPAC name of 4-(N-methylanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(N-methylanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide (CID 109219436) is 4-(N-methylanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(N-methylanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(N-methylanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide is CC(C)c1ccc(NC(=O)c2cc(N(C)c3ccccc3)ccn2)cc1.
What is the InChIKey of 4-(N-methylanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
The InChIKey is ZQQCKKFZUBJJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16(2)17-9-11-18(12-10-17)24-22(26)21-15-20(13-14-23-21)25(3)19-7-5-4-6-8-19/h4-16H,1-3H3,(H,24,26).
What are the key properties of 4-(N-methylanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
4-(N-methylanilino)-N-(4-propan-2-ylphenyl)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 4-(N-methylanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109219436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).