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

C24H27N3O2 — CID 109239762

IUPAC5-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cncc(N(Cc3ccccc3)C(C)C)c2)cc1
InChIInChI=1S/C24H27N3O2/c1-4-29-23-12-10-21(11-13-23)26-24(28)20-14-22(16-25-15-20)27(18(2)3)17-19-8-6-5-7-9-19/h5-16,18H,4,17H2,1-3H3,(H,26,28)
InChIKeyVSIYXYRAOIUPLT-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.15
Rot. Bonds8

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

5-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109239762) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
PubChem CID109239762
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name5-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cncc(N(Cc3ccccc3)C(C)C)c2)cc1
InChIInChI=1S/C24H27N3O2/c1-4-29-23-12-10-21(11-13-23)26-24(28)20-14-22(16-25-15-20)27(18(2)3)17-19-8-6-5-7-9-19/h5-16,18H,4,17H2,1-3H3,(H,26,28)
InChIKeyVSIYXYRAOIUPLT-UHFFFAOYSA-N
XLogP5.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109239760
5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109233234
4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109217259
2-[benzyl(ethyl)amino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109258493
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide
CID 109234844
3-N-(4-ethoxyphenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108480
5-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-3-carboxamide
CID 109239734
5-[benzyl(propan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234185
5-N-(3-chlorophenyl)-3-N-(4-ethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108789
5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101290
5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid
CID 22923804

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide (CID 109239762) is 5-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide is CCOc1ccc(NC(=O)c2cncc(N(Cc3ccccc3)C(C)C)c2)cc1.
What is the InChIKey of 5-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is VSIYXYRAOIUPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-4-29-23-12-10-21(11-13-23)26-24(28)20-14-22(16-25-15-20)27(18(2)3)17-19-8-6-5-7-9-19/h5-16,18H,4,17H2,1-3H3,(H,26,28).
What are the key properties of 5-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide?
5-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 5.15, 8 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-ethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109239762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).