N-(4-benzamido-2,5-diethoxyphenyl)pyridine-2-carboxamide

C23H23N3O4 — CID 3206754

IUPACN-(4-benzamido-2,5-diethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1cc(NC(=O)c2ccccn2)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H23N3O4/c1-3-29-20-15-19(26-23(28)17-12-8-9-13-24-17)21(30-4-2)14-18(20)25-22(27)16-10-6-5-7-11-16/h5-15H,3-4H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGUQRZEBOEPAVBV-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.38
Rot. Bonds8

About N-(4-benzamido-2,5-diethoxyphenyl)pyridine-2-carboxamide

N-(4-benzamido-2,5-diethoxyphenyl)pyridine-2-carboxamide (PubChem CID 3206754) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-(4-benzamido-2,5-diethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-benzamido-2,5-diethoxyphenyl)pyridine-2-carboxamide
PubChem CID3206754
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-(4-benzamido-2,5-diethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1cc(NC(=O)c2ccccn2)c(OCC)cc1NC(=O)c1ccccc1
InChIInChI=1S/C23H23N3O4/c1-3-29-20-15-19(26-23(28)17-12-8-9-13-24-17)21(30-4-2)14-18(20)25-22(27)16-10-6-5-7-11-16/h5-15H,3-4H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGUQRZEBOEPAVBV-UHFFFAOYSA-N
XLogP4.38
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-2,5-diethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-benzamido-2,5-diethoxyphenyl)pyridine-2-carboxamide (CID 3206754) is N-(4-benzamido-2,5-diethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-benzamido-2,5-diethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-benzamido-2,5-diethoxyphenyl)pyridine-2-carboxamide is CCOc1cc(NC(=O)c2ccccn2)c(OCC)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-benzamido-2,5-diethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is GUQRZEBOEPAVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-3-29-20-15-19(26-23(28)17-12-8-9-13-24-17)21(30-4-2)14-18(20)25-22(27)16-10-6-5-7-11-16/h5-15H,3-4H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-(4-benzamido-2,5-diethoxyphenyl)pyridine-2-carboxamide?
N-(4-benzamido-2,5-diethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-2,5-diethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 3206754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).