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

C20H23N5O — CID 164611149

IUPACN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc2nncn2c1
InChIInChI=1S/C20H23N5O/c26-20(18-8-9-19-23-22-15-25(19)14-18)21-12-16-4-6-17(7-5-16)13-24-10-2-1-3-11-24/h4-9,14-15H,1-3,10-13H2,(H,21,26)
InChIKeyZKCBLCATCCKJOA-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.65
Rot. Bonds5

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

N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 164611149) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID164611149
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc2nncn2c1
InChIInChI=1S/C20H23N5O/c26-20(18-8-9-19-23-22-15-25(19)14-18)21-12-16-4-6-17(7-5-16)13-24-10-2-1-3-11-24/h4-9,14-15H,1-3,10-13H2,(H,21,26)
InChIKeyZKCBLCATCCKJOA-UHFFFAOYSA-N
XLogP2.65
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 164611149) is N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc2nncn2c1.
What is the InChIKey of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is ZKCBLCATCCKJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c26-20(18-8-9-19-23-22-15-25(19)14-18)21-12-16-4-6-17(7-5-16)13-24-10-2-1-3-11-24/h4-9,14-15H,1-3,10-13H2,(H,21,26).
What are the key properties of N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 164611149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).