N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide

Name: N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₂₂N₄O₃ — CID 56534476

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide

SMILESCCOc1ccc(N(CCC#N)C(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1

InChIInChI=1S/C24H22N4O3/c1-2-31-22-11-9-21(10-12-22)28(15-5-13-25)24(30)18-6-3-8-20(16-18)27-23(29)19-7-4-14-26-17-19/h3-4,6-12,14,16-17H,2,5,15H2,1H3,(H,27,29)

InChIKeyMDJNTWFZRMVNGU-UHFFFAOYSA-N

MW414.47 g/mol

LogP4.29

Rot. Bonds8

About N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 56534476) has the molecular formula C₂₄H₂₂N₄O₃ and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name	N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID	56534476
Molecular Formula	C₂₄H₂₂N₄O₃
Molecular Weight	414.47 g/mol
Exact Mass	414.17
IUPAC Name	N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILES	CCOc1ccc(N(CCC#N)C(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1
InChI	InChI=1S/C24H22N4O3/c1-2-31-22-11-9-21(10-12-22)28(15-5-13-25)24(30)18-6-3-8-20(16-18)27-23(29)19-7-4-14-26-17-19/h3-4,6-12,14,16-17H,2,5,15H2,1H3,(H,27,29)
InChIKey	MDJNTWFZRMVNGU-UHFFFAOYSA-N
XLogP	4.29
TPSA	95.32 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.47
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide (CID 56534476) is N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide is CCOc1ccc(N(CCC#N)C(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1.

What is the InChIKey of N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?

The InChIKey is MDJNTWFZRMVNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-2-31-22-11-9-21(10-12-22)28(15-5-13-25)24(30)18-6-3-8-20(16-18)27-23(29)19-7-4-14-26-17-19/h3-4,6-12,14,16-17H,2,5,15H2,1H3,(H,27,29).

What are the key properties of N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?

N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-cyanoethyl-(4-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 56534476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 56534476 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.