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

C20H21N5O2 — CID 166182410

IUPACN-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1cccc(C(=O)N2CCCCC2)c1)c1ccc2nncn2c1
InChIInChI=1S/C20H21N5O2/c26-19(17-7-8-18-23-22-14-25(18)13-17)21-12-15-5-4-6-16(11-15)20(27)24-9-2-1-3-10-24/h4-8,11,13-14H,1-3,9-10,12H2,(H,21,26)
InChIKeyCXZZVQYPTODELU-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.29
Rot. Bonds4

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

N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 166182410) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID166182410
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1cccc(C(=O)N2CCCCC2)c1)c1ccc2nncn2c1
InChIInChI=1S/C20H21N5O2/c26-19(17-7-8-18-23-22-14-25(18)13-17)21-12-15-5-4-6-16(11-15)20(27)24-9-2-1-3-10-24/h4-8,11,13-14H,1-3,9-10,12H2,(H,21,26)
InChIKeyCXZZVQYPTODELU-UHFFFAOYSA-N
XLogP2.29
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide with MolForge

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Related Compounds

piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 97211491
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166182442
2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 55692999
N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166180288
3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46467040
4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 47057188
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide
CID 55722187
N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166571517
2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 55722118
6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide
CID 46464028

Frequently Asked Questions

What is the IUPAC name of N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 166182410) is N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCc1cccc(C(=O)N2CCCCC2)c1)c1ccc2nncn2c1.
What is the InChIKey of N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is CXZZVQYPTODELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-19(17-7-8-18-23-22-14-25(18)13-17)21-12-15-5-4-6-16(11-15)20(27)24-9-2-1-3-10-24/h4-8,11,13-14H,1-3,9-10,12H2,(H,21,26).
What are the key properties of N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 166182410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).