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

C24H27N3O2 — CID 109217259

IUPAC4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(N(Cc3ccccc3)C(C)C)ccn2)cc1
InChIInChI=1S/C24H27N3O2/c1-4-29-22-12-10-20(11-13-22)26-24(28)23-16-21(14-15-25-23)27(18(2)3)17-19-8-6-5-7-9-19/h5-16,18H,4,17H2,1-3H3,(H,26,28)
InChIKeyZKMRZFMWGCXPEH-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.15
Rot. Bonds8

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

4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109217259) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide
PubChem CID109217259
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(N(Cc3ccccc3)C(C)C)ccn2)cc1
InChIInChI=1S/C24H27N3O2/c1-4-29-22-12-10-20(11-13-22)26-24(28)23-16-21(14-15-25-23)27(18(2)3)17-19-8-6-5-7-9-19/h5-16,18H,4,17H2,1-3H3,(H,26,28)
InChIKeyZKMRZFMWGCXPEH-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

4-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109217263
5-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109239762
N-(4-ethoxyphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210831
4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide
CID 109217244
4-[butyl(methyl)amino]-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 109217883
2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078141
N-(4-ethoxyphenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220430
6-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109354130
5-[benzyl(propan-2-yl)amino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109239760
6-[benzyl(propan-2-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109354113
N-(4-acetamidophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220336
5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109195478

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide (CID 109217259) is 4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide is CCOc1ccc(NC(=O)c2cc(N(Cc3ccccc3)C(C)C)ccn2)cc1.
What is the InChIKey of 4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is ZKMRZFMWGCXPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-4-29-22-12-10-20(11-13-22)26-24(28)23-16-21(14-15-25-23)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 4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide?
4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-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 4-[benzyl(propan-2-yl)amino]-N-(4-ethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109217259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).