N-[[4-(cyclopentylmethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C20H22N4O2 — CID 146264092

IUPACN-[[4-(cyclopentylmethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(NCc1ccc(OCC2CCCC2)cc1)c1cccn2cnnc12
InChIInChI=1S/C20H22N4O2/c25-20(18-6-3-11-24-14-22-23-19(18)24)21-12-15-7-9-17(10-8-15)26-13-16-4-1-2-5-16/h3,6-11,14,16H,1-2,4-5,12-13H2,(H,21,25)
InChIKeyMLISAMTUWPXPMN-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.23
Rot. Bonds6

About N-[[4-(cyclopentylmethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[[4-(cyclopentylmethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 146264092) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[[4-(cyclopentylmethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopentylmethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID146264092
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[[4-(cyclopentylmethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(NCc1ccc(OCC2CCCC2)cc1)c1cccn2cnnc12
InChIInChI=1S/C20H22N4O2/c25-20(18-6-3-11-24-14-22-23-19(18)24)21-12-15-7-9-17(10-8-15)26-13-16-4-1-2-5-16/h3,6-11,14,16H,1-2,4-5,12-13H2,(H,21,25)
InChIKeyMLISAMTUWPXPMN-UHFFFAOYSA-N
XLogP3.23
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[4-(cyclohexylmethoxy)phenyl]methylcarbamoyl]phenyl] dihydrogen phosphate
CID 10812007
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 26365131
4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid
CID 119165490
4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 75371278
2-oxo-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1H-pyridine-3-carboxamide
CID 51949056
2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334708
1-(bromomethyl)-4-(cyclopentylmethoxy)benzene
CID 61343018
2-[4-(cyclopentylmethoxy)anilino]acetamide
CID 69098932
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide
CID 10490793
[[4-(cyclopentylmethoxy)benzoyl]amino]methanesulfinic acid
CID 174758918
2-[4-(cyclohexylmethoxy)phenyl]ethanol
CID 113369507
2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104232

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopentylmethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[[4-(cyclopentylmethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 146264092) is N-[[4-(cyclopentylmethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[[4-(cyclopentylmethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[[4-(cyclopentylmethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is O=C(NCc1ccc(OCC2CCCC2)cc1)c1cccn2cnnc12.
What is the InChIKey of N-[[4-(cyclopentylmethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is MLISAMTUWPXPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-20(18-6-3-11-24-14-22-23-19(18)24)21-12-15-7-9-17(10-8-15)26-13-16-4-1-2-5-16/h3,6-11,14,16H,1-2,4-5,12-13H2,(H,21,25).
What are the key properties of N-[[4-(cyclopentylmethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[[4-(cyclopentylmethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopentylmethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 146264092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).