N-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C21H25N5O — CID 164612204

IUPACN-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)C1CCN1Cc1ccc(CNC(=O)c2ccc3nncn3c2)cc1
InChIInChI=1S/C21H25N5O/c1-15(2)19-9-10-25(19)12-17-5-3-16(4-6-17)11-22-21(27)18-7-8-20-24-23-14-26(20)13-18/h3-8,13-15,19H,9-12H2,1-2H3,(H,22,27)
InChIKeyCRLHIOGGBYJFMI-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.89
Rot. Bonds6

About N-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 164612204) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID164612204
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCC(C)C1CCN1Cc1ccc(CNC(=O)c2ccc3nncn3c2)cc1
InChIInChI=1S/C21H25N5O/c1-15(2)19-9-10-25(19)12-17-5-3-16(4-6-17)11-22-21(27)18-7-8-20-24-23-14-26(20)13-18/h3-8,13-15,19H,9-12H2,1-2H3,(H,22,27)
InChIKeyCRLHIOGGBYJFMI-UHFFFAOYSA-N
XLogP2.89
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 24959046
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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 164612204) is N-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(C)C1CCN1Cc1ccc(CNC(=O)c2ccc3nncn3c2)cc1.
What is the InChIKey of N-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is CRLHIOGGBYJFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15(2)19-9-10-25(19)12-17-5-3-16(4-6-17)11-22-21(27)18-7-8-20-24-23-14-26(20)13-18/h3-8,13-15,19H,9-12H2,1-2H3,(H,22,27).
What are the key properties of N-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 164612204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).