5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide

C23H25N3O2 — CID 109188570

IUPAC5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCc1cccc(CNc2ccc(C(=O)Nc3ccc(OC(C)C)cc3)nc2)c1
InChIInChI=1S/C23H25N3O2/c1-16(2)28-21-10-7-19(8-11-21)26-23(27)22-12-9-20(15-25-22)24-14-18-6-4-5-17(3)13-18/h4-13,15-16,24H,14H2,1-3H3,(H,26,27)
InChIKeyMBYZIYYQTZJCHO-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.04
Rot. Bonds7

About 5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide

5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 109188570) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
PubChem CID109188570
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCc1cccc(CNc2ccc(C(=O)Nc3ccc(OC(C)C)cc3)nc2)c1
InChIInChI=1S/C23H25N3O2/c1-16(2)28-21-10-7-19(8-11-21)26-23(27)22-12-9-20(15-25-22)24-14-18-6-4-5-17(3)13-18/h4-13,15-16,24H,14H2,1-3H3,(H,26,27)
InChIKeyMBYZIYYQTZJCHO-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

N-(4-ethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188546
N-(2,6-dimethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188543
N-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188558
N-(1,3-benzodioxol-5-yl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188590
5-[(3-methylphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109280422
N-(5-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188556
N-[(4-fluorophenyl)methyl]-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188488
N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280431
6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109346565
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081
2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026614
N-[(3-methylphenyl)methyl]-2-(4-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109169793

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide (CID 109188570) is 5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide is Cc1cccc(CNc2ccc(C(=O)Nc3ccc(OC(C)C)cc3)nc2)c1.
What is the InChIKey of 5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The InChIKey is MBYZIYYQTZJCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16(2)28-21-10-7-19(8-11-21)26-23(27)22-12-9-20(15-25-22)24-14-18-6-4-5-17(3)13-18/h4-13,15-16,24H,14H2,1-3H3,(H,26,27).
What are the key properties of 5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide?
5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-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-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109188570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).