N-[3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]phenyl]furan-2-carboxamide

C22H19N5O4 — CID 56523981

IUPACN-[3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)c3cccc(NC(=O)c4ccco4)c3)n2)cc1
InChIInChI=1S/C22H19N5O4/c1-30-17-9-7-14(8-10-17)20-25-19(26-27-20)13-23-21(28)15-4-2-5-16(12-15)24-22(29)18-6-3-11-31-18/h2-12H,13H2,1H3,(H,23,28)(H,24,29)(H,25,26,27)
InChIKeyOQNKAILVSRUQGF-UHFFFAOYSA-N
MW417.43 g/mol
LogP3.26
Rot. Bonds7

About N-[3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]phenyl]furan-2-carboxamide

N-[3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 56523981) has the molecular formula C22H19N5O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is N-[3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID56523981
Molecular FormulaC22H19N5O4
Molecular Weight417.43 g/mol
Exact Mass417.14
IUPAC NameN-[3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCOc1ccc(-c2n[nH]c(CNC(=O)c3cccc(NC(=O)c4ccco4)c3)n2)cc1
InChIInChI=1S/C22H19N5O4/c1-30-17-9-7-14(8-10-17)20-25-19(26-27-20)13-23-21(28)15-4-2-5-16(12-15)24-22(29)18-6-3-11-31-18/h2-12H,13H2,1H3,(H,23,28)(H,24,29)(H,25,26,27)
InChIKeyOQNKAILVSRUQGF-UHFFFAOYSA-N
XLogP3.26
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]phenyl]carbamate
CID 56524351
3-bromo-N-[2-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoethyl]benzamide
CID 56527762
3-(furan-2-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 91773049
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 56524002
4-iodo-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 56524317
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56524427
N-[3-[(3-ethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55844290
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 56827435
N-(furan-2-ylmethyl)-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17199915
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dipropoxybenzamide
CID 56524628
4-anilino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-3-nitrobenzamide
CID 56524164
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]phenyl]furan-2-carboxamide (CID 56523981) is N-[3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]phenyl]furan-2-carboxamide is COc1ccc(-c2n[nH]c(CNC(=O)c3cccc(NC(=O)c4ccco4)c3)n2)cc1.
What is the InChIKey of N-[3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is OQNKAILVSRUQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4/c1-30-17-9-7-14(8-10-17)20-25-19(26-27-20)13-23-21(28)15-4-2-5-16(12-15)24-22(29)18-6-3-11-31-18/h2-12H,13H2,1H3,(H,23,28)(H,24,29)(H,25,26,27).
What are the key properties of N-[3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 56523981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).