5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

C23H25N3O2 — CID 109232172

IUPAC5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1CNc1cncc(C(=O)Nc2ccccc2OC(C)C)c1
InChIInChI=1S/C23H25N3O2/c1-16(2)28-22-11-7-6-10-21(22)26-23(27)19-12-20(15-24-13-19)25-14-18-9-5-4-8-17(18)3/h4-13,15-16,25H,14H2,1-3H3,(H,26,27)
InChIKeyGBFVQPVGVAQXOU-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.04
Rot. Bonds7

About 5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 109232172) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID109232172
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1CNc1cncc(C(=O)Nc2ccccc2OC(C)C)c1
InChIInChI=1S/C23H25N3O2/c1-16(2)28-22-11-7-6-10-21(22)26-23(27)19-12-20(15-24-13-19)25-14-18-9-5-4-8-17(18)3/h4-13,15-16,25H,14H2,1-3H3,(H,26,27)
InChIKeyGBFVQPVGVAQXOU-UHFFFAOYSA-N
XLogP5.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109232147
N-(2-propan-2-yloxyphenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223094
5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232130
5-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109231568
5-[2-(dimethylamino)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109229386
5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230003
N-(2,5-dimethoxyphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232174
N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232132
N-(4-ethylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232144
5-[(2-fluorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109233450
N-(2-ethoxyphenyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109245387
5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241956

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 109232172) is 5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is Cc1ccccc1CNc1cncc(C(=O)Nc2ccccc2OC(C)C)c1.
What is the InChIKey of 5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is GBFVQPVGVAQXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16(2)28-22-11-7-6-10-21(22)26-23(27)19-12-20(15-24-13-19)25-14-18-9-5-4-8-17(18)3/h4-13,15-16,25H,14H2,1-3H3,(H,26,27).
What are the key properties of 5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109232172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).