N-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C19H21N5O — CID 164614195

IUPACN-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(NC(=O)c1ccc2nncn2c1)c1ccc(CN2CCC2)cc1
InChIInChI=1S/C19H21N5O/c1-14(16-5-3-15(4-6-16)11-23-9-2-10-23)21-19(25)17-7-8-18-22-20-13-24(18)12-17/h3-8,12-14H,2,9-11H2,1H3,(H,21,25)
InChIKeyKJKRLJQXZDWDBL-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.43
Rot. Bonds5

About N-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 164614195) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID164614195
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(NC(=O)c1ccc2nncn2c1)c1ccc(CN2CCC2)cc1
InChIInChI=1S/C19H21N5O/c1-14(16-5-3-15(4-6-16)11-23-9-2-10-23)21-19(25)17-7-8-18-22-20-13-24(18)12-17/h3-8,12-14H,2,9-11H2,1H3,(H,21,25)
InChIKeyKJKRLJQXZDWDBL-UHFFFAOYSA-N
XLogP2.43
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 53281706
N-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 164612204
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 133188888
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 25493079
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 125063633
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 94024334
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99946484
4-(azepan-1-ylmethyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125044162
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 92677739
N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97210670
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 94013989

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 164614195) is N-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(NC(=O)c1ccc2nncn2c1)c1ccc(CN2CCC2)cc1.
What is the InChIKey of N-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is KJKRLJQXZDWDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14(16-5-3-15(4-6-16)11-23-9-2-10-23)21-19(25)17-7-8-18-22-20-13-24(18)12-17/h3-8,12-14H,2,9-11H2,1H3,(H,21,25).
What are the key properties of N-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(azetidin-1-ylmethyl)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 164614195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).