N-(cyclopentylmethyl)-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide

C22H29N9O2 — CID 118646666

IUPACN-(cyclopentylmethyl)-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide
SMILESO=C(Cc1ccccn1)Nc1cn(CCCCn2cc(C(=O)NCC3CCCC3)nn2)nn1
InChIInChI=1S/C22H29N9O2/c32-21(13-18-9-3-4-10-23-18)25-20-16-31(29-27-20)12-6-5-11-30-15-19(26-28-30)22(33)24-14-17-7-1-2-8-17/h3-4,9-10,15-17H,1-2,5-8,11-14H2,(H,24,33)(H,25,32)
InChIKeyRHUOEYHRQJTRGM-UHFFFAOYSA-N
MW451.54 g/mol
LogP1.85
Rot. Bonds11

About N-(cyclopentylmethyl)-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide

N-(cyclopentylmethyl)-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide (PubChem CID 118646666) has the molecular formula C22H29N9O2 and a molecular weight of 451.54 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide
PubChem CID118646666
Molecular FormulaC22H29N9O2
Molecular Weight451.54 g/mol
Exact Mass451.24
IUPAC NameN-(cyclopentylmethyl)-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide
SMILESO=C(Cc1ccccn1)Nc1cn(CCCCn2cc(C(=O)NCC3CCCC3)nn2)nn1
InChIInChI=1S/C22H29N9O2/c32-21(13-18-9-3-4-10-23-18)25-20-16-31(29-27-20)12-6-5-11-30-15-19(26-28-30)22(33)24-14-17-7-1-2-8-17/h3-4,9-10,15-17H,1-2,5-8,11-14H2,(H,24,33)(H,25,32)
InChIKeyRHUOEYHRQJTRGM-UHFFFAOYSA-N
XLogP1.85
TPSA132.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(cyclopentylmethyl)-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-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

1-[4-[4-[(2-cyclopentylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 118640748
N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide
CID 159858370
1-[4-[4-[(1-hydroxy-2-pyridin-2-ylethyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 148527200
1-(cyclopentylmethyl)-N-(cyclopropylmethyl)triazole-4-carboxamide
CID 163349645
1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 118640768
1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 118640150
(2S)-N-(cyclohexylmethyl)-2-hydroxy-3-pyridin-2-ylpropanamide
CID 70412443
1-[4-[6-[(2-cyclopentylacetyl)amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 118646595
1-[4-[4-[(2-cyclopropylacetyl)amino]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 118646594
N-(oxetan-3-ylmethyl)-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide
CID 118646637
benzyl N-[2-oxo-1-[4-[4-(pyridin-2-ylmethylcarbamoyl)triazol-1-yl]butyl]-4-pyridinyl]carbamate
CID 118622617
tert-butyl 4-[[(2-pyridin-2-ylacetyl)amino]methyl]piperidine-1-carboxylate
CID 139805130

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide (CID 118646666) is N-(cyclopentylmethyl)-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide is O=C(Cc1ccccn1)Nc1cn(CCCCn2cc(C(=O)NCC3CCCC3)nn2)nn1.
What is the InChIKey of N-(cyclopentylmethyl)-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide?
The InChIKey is RHUOEYHRQJTRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N9O2/c32-21(13-18-9-3-4-10-23-18)25-20-16-31(29-27-20)12-6-5-11-30-15-19(26-28-30)22(33)24-14-17-7-1-2-8-17/h3-4,9-10,15-17H,1-2,5-8,11-14H2,(H,24,33)(H,25,32).
What are the key properties of N-(cyclopentylmethyl)-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide?
N-(cyclopentylmethyl)-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide has a molecular weight of 451.54 g/mol, XLogP of 1.85, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-[4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide is sourced from PubChem (CID 118646666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).