N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide

C21H23N5O2 — CID 74244555

IUPACN-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(-n4cnnc4)nc3)CCCC2)cc1
InChIInChI=1S/C21H23N5O2/c1-28-18-7-5-17(6-8-18)21(10-2-3-11-21)13-23-20(27)16-4-9-19(22-12-16)26-14-24-25-15-26/h4-9,12,14-15H,2-3,10-11,13H2,1H3,(H,23,27)
InChIKeySYFUYICTTAZFNC-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.91
Rot. Bonds6

About N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide

N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (PubChem CID 74244555) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
PubChem CID74244555
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(-n4cnnc4)nc3)CCCC2)cc1
InChIInChI=1S/C21H23N5O2/c1-28-18-7-5-17(6-8-18)21(10-2-3-11-21)13-23-20(27)16-4-9-19(22-12-16)26-14-24-25-15-26/h4-9,12,14-15H,2-3,10-11,13H2,1H3,(H,23,27)
InChIKeySYFUYICTTAZFNC-UHFFFAOYSA-N
XLogP2.91
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-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

3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide
CID 66791325
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 74240891
N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74245566
5-chloro-N-[(1-phenylcyclohexyl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952899
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74230830
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42265583
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 157016880
3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide
CID 47921805
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952761

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (CID 74244555) is N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is COc1ccc(C2(CNC(=O)c3ccc(-n4cnnc4)nc3)CCCC2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The InChIKey is SYFUYICTTAZFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-28-18-7-5-17(6-8-18)21(10-2-3-11-21)13-23-20(27)16-4-9-19(22-12-16)26-14-24-25-15-26/h4-9,12,14-15H,2-3,10-11,13H2,1H3,(H,23,27).
What are the key properties of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 74244555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).