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

C19H21N5O2 — CID 164624651

IUPACN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc2nncn2c1
InChIInChI=1S/C19H21N5O2/c25-19(17-5-6-18-22-21-14-24(18)13-17)20-11-15-1-3-16(4-2-15)12-23-7-9-26-10-8-23/h1-6,13-14H,7-12H2,(H,20,25)
InChIKeyCJVNKOUOCYJMMI-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.49
Rot. Bonds5

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

N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 164624651) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID164624651
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc2nncn2c1
InChIInChI=1S/C19H21N5O2/c25-19(17-5-6-18-22-21-14-24(18)13-17)20-11-15-1-3-16(4-2-15)12-23-7-9-26-10-8-23/h1-6,13-14H,7-12H2,(H,20,25)
InChIKeyCJVNKOUOCYJMMI-UHFFFAOYSA-N
XLogP1.49
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 164624651) is N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc2nncn2c1.
What is the InChIKey of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is CJVNKOUOCYJMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-19(17-5-6-18-22-21-14-24(18)13-17)20-11-15-1-3-16(4-2-15)12-23-7-9-26-10-8-23/h1-6,13-14H,7-12H2,(H,20,25).
What are the key properties of N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 164624651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).