N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide

C23H25N3O2 — CID 109209998

IUPACN-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cc(Nc2ccccc2OC(C)C)ccn1
InChIInChI=1S/C23H25N3O2/c1-16(2)28-22-11-7-6-10-20(22)26-19-12-13-24-21(14-19)23(27)25-15-18-9-5-4-8-17(18)3/h4-14,16H,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyQEADGZALCJLDBO-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.85
Rot. Bonds7

About N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide

N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide (PubChem CID 109209998) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
PubChem CID109209998
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cc(Nc2ccccc2OC(C)C)ccn1
InChIInChI=1S/C23H25N3O2/c1-16(2)28-22-11-7-6-10-20(22)26-19-12-13-24-21(14-19)23(27)25-15-18-9-5-4-8-17(18)3/h4-14,16H,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyQEADGZALCJLDBO-UHFFFAOYSA-N
XLogP4.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109206145
N-pentyl-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109217543
4-(2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109209978
4-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109209976
4-(5-chloro-2-methoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109209990
4-(2-ethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211987
4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109211753
4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109219027
4-[3-(dimethylamino)propylamino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109207893
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210020
N-[(2-methylphenyl)methyl]-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109209919
4-(2-ethoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217325

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide (CID 109209998) is N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide is Cc1ccccc1CNC(=O)c1cc(Nc2ccccc2OC(C)C)ccn1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
The InChIKey is QEADGZALCJLDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16(2)28-22-11-7-6-10-20(22)26-19-12-13-24-21(14-19)23(27)25-15-18-9-5-4-8-17(18)3/h4-14,16H,15H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide?
N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109209998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).