3-[3-cyano-4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]phenyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide

C29H25N11O3 — CID 129301579

IUPAC3-[3-cyano-4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]phenyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide
SMILESN#Cc1cc(C2CCC(C(=O)Nc3n[nH]c(-c4ccccn4)n3)C2)ccc1OCC(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C29H25N11O3/c30-15-20-14-18(9-10-23(20)43-16-24(41)33-28-34-25(37-39-28)21-5-1-3-11-31-21)17-7-8-19(13-17)27(42)36-29-35-26(38-40-29)22-6-2-4-12-32-22/h1-6,9-12,14,17,19H,7-8,13,16H2,(H2,33,34,37,39,41)(H2,35,36,38,40,42)
InChIKeyAVRVRDZDLLLQDU-UHFFFAOYSA-N
MW575.59 g/mol
LogP3.46
Rot. Bonds9

About 3-[3-cyano-4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]phenyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide

3-[3-cyano-4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]phenyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide (PubChem CID 129301579) has the molecular formula C29H25N11O3 and a molecular weight of 575.59 g/mol. Its IUPAC name is 3-[3-cyano-4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]phenyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-[3-cyano-4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]phenyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide
PubChem CID129301579
Molecular FormulaC29H25N11O3
Molecular Weight575.59 g/mol
Exact Mass575.21
IUPAC Name3-[3-cyano-4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]phenyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide
SMILESN#Cc1cc(C2CCC(C(=O)Nc3n[nH]c(-c4ccccn4)n3)C2)ccc1OCC(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C29H25N11O3/c30-15-20-14-18(9-10-23(20)43-16-24(41)33-28-34-25(37-39-28)21-5-1-3-11-31-21)17-7-8-19(13-17)27(42)36-29-35-26(38-40-29)22-6-2-4-12-32-22/h1-6,9-12,14,17,19H,7-8,13,16H2,(H2,33,34,37,39,41)(H2,35,36,38,40,42)
InChIKeyAVRVRDZDLLLQDU-UHFFFAOYSA-N
XLogP3.46
TPSA200.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.59
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 3-[3-cyano-4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]phenyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

US10940139, Example 02511
CID 47925593
2-[1-[[6-[3-[[2-(2,4-difluorophenoxy)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]methyl]pyrazol-4-yl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
CID 146521810
2-(4-ethylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 47057768
2-(2-ethylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 47057769
US12331033, Example 149
CID 47093391
2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 48173138
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 48383735
2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 51081297
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 51087341
2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 51087351
2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 51087367
2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 75466736

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyano-4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]phenyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of 3-[3-cyano-4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]phenyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide (CID 129301579) is 3-[3-cyano-4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]phenyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-[3-cyano-4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]phenyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-[3-cyano-4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]phenyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide is N#Cc1cc(C2CCC(C(=O)Nc3n[nH]c(-c4ccccn4)n3)C2)ccc1OCC(=O)Nc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 3-[3-cyano-4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]phenyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide?
The InChIKey is AVRVRDZDLLLQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N11O3/c30-15-20-14-18(9-10-23(20)43-16-24(41)33-28-34-25(37-39-28)21-5-1-3-11-31-21)17-7-8-19(13-17)27(42)36-29-35-26(38-40-29)22-6-2-4-12-32-22/h1-6,9-12,14,17,19H,7-8,13,16H2,(H2,33,34,37,39,41)(H2,35,36,38,40,42).
What are the key properties of 3-[3-cyano-4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]phenyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide?
3-[3-cyano-4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]phenyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide has a molecular weight of 575.59 g/mol, XLogP of 3.46, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyano-4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]phenyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 129301579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).