N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide

C23H25N3O2 — CID 109169793

IUPACN-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(Nc3ccc(OC(C)C)cc3)c2)c1
InChIInChI=1S/C23H25N3O2/c1-16(2)28-21-9-7-20(8-10-21)26-22-14-19(11-12-24-22)23(27)25-15-18-6-4-5-17(3)13-18/h4-14,16H,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyFMGIXNMCTLFCQY-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.85
Rot. Bonds7

About N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide

N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide (PubChem CID 109169793) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide
PubChem CID109169793
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(Nc3ccc(OC(C)C)cc3)c2)c1
InChIInChI=1S/C23H25N3O2/c1-16(2)28-21-9-7-20(8-10-21)26-22-14-19(11-12-24-22)23(27)25-15-18-6-4-5-17(3)13-18/h4-14,16H,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyFMGIXNMCTLFCQY-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

2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169807
2-(3,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169821
methyl 3-[[4-[(3-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109169805
2-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 62235984
6-methyl-N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109327749
N-butan-2-yl-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109165854
2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169816
2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109178298
N-[(4-methylphenyl)methyl]-6-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109347466
N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide
CID 109169454
5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109188570
4-(4-ethoxyanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210235

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide (CID 109169793) is N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide is Cc1cccc(CNC(=O)c2ccnc(Nc3ccc(OC(C)C)cc3)c2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide?
The InChIKey is FMGIXNMCTLFCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16(2)28-21-9-7-20(8-10-21)26-22-14-19(11-12-24-22)23(27)25-15-18-6-4-5-17(3)13-18/h4-14,16H,15H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide?
N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-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-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109169793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).