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

C18H19N5O — CID 164625675

IUPACN-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1cccc(CN2CCC2)c1)c1ccc2nncn2c1
InChIInChI=1S/C18H19N5O/c24-18(16-5-6-17-21-20-13-23(17)12-16)19-10-14-3-1-4-15(9-14)11-22-7-2-8-22/h1,3-6,9,12-13H,2,7-8,10-11H2,(H,19,24)
InChIKeyLVYVSIPFHBADQP-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.87
Rot. Bonds5

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

N-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 164625675) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID164625675
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1cccc(CN2CCC2)c1)c1ccc2nncn2c1
InChIInChI=1S/C18H19N5O/c24-18(16-5-6-17-21-20-13-23(17)12-16)19-10-14-3-1-4-15(9-14)11-22-7-2-8-22/h1,3-6,9,12-13H,2,7-8,10-11H2,(H,19,24)
InChIKeyLVYVSIPFHBADQP-UHFFFAOYSA-N
XLogP1.87
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 164625675) is N-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCc1cccc(CN2CCC2)c1)c1ccc2nncn2c1.
What is the InChIKey of N-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is LVYVSIPFHBADQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(16-5-6-17-21-20-13-23(17)12-16)19-10-14-3-1-4-15(9-14)11-22-7-2-8-22/h1,3-6,9,12-13H,2,7-8,10-11H2,(H,19,24).
What are the key properties of N-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 164625675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).