5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide

C23H25N3O2 — CID 109239760

IUPAC5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(N(Cc3ccccc3)C(C)C)c2)cc1
InChIInChI=1S/C23H25N3O2/c1-17(2)26(16-18-7-5-4-6-8-18)21-13-19(14-24-15-21)23(27)25-20-9-11-22(28-3)12-10-20/h4-15,17H,16H2,1-3H3,(H,25,27)
InChIKeyXLPUCQPYYCQEPI-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.76
Rot. Bonds7

About 5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide

5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 109239760) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID109239760
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(N(Cc3ccccc3)C(C)C)c2)cc1
InChIInChI=1S/C23H25N3O2/c1-17(2)26(16-18-7-5-4-6-8-18)21-13-19(14-24-15-21)23(27)25-20-9-11-22(28-3)12-10-20/h4-15,17H,16H2,1-3H3,(H,25,27)
InChIKeyXLPUCQPYYCQEPI-UHFFFAOYSA-N
XLogP4.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109239762
N-(4-methoxyphenyl)-5-(N-methylanilino)pyridine-3-carboxamide
CID 109242318
5-[benzyl(propan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234185
5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109233234
N-(4-methoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 110683719
5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109195478
5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide
CID 109234844
3-N-(4-methoxyphenyl)-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109108597
N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223486
N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
CID 112982849
5-[benzyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109233239
N-(4-methoxyphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237121

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide (CID 109239760) is 5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cncc(N(Cc3ccccc3)C(C)C)c2)cc1.
What is the InChIKey of 5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is XLPUCQPYYCQEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17(2)26(16-18-7-5-4-6-8-18)21-13-19(14-24-15-21)23(27)25-20-9-11-22(28-3)12-10-20/h4-15,17H,16H2,1-3H3,(H,25,27).
What are the key properties of 5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide?
5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109239760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).