2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide

C17H16ClN5O — CID 167811800

IUPAC2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide
SMILESCc1nc2ccc(NC(=O)N3CCC3c3ccc(Cl)cc3)cn2n1
InChIInChI=1S/C17H16ClN5O/c1-11-19-16-7-6-14(10-23(16)21-11)20-17(24)22-9-8-15(22)12-2-4-13(18)5-3-12/h2-7,10,15H,8-9H2,1H3,(H,20,24)
InChIKeyXZYOBIMRTHDNRI-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.67
Rot. Bonds2

About 2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide

2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide (PubChem CID 167811800) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide
PubChem CID167811800
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide
SMILESCc1nc2ccc(NC(=O)N3CCC3c3ccc(Cl)cc3)cn2n1
InChIInChI=1S/C17H16ClN5O/c1-11-19-16-7-6-14(10-23(16)21-11)20-17(24)22-9-8-15(22)12-2-4-13(18)5-3-12/h2-7,10,15H,8-9H2,1H3,(H,20,24)
InChIKeyXZYOBIMRTHDNRI-UHFFFAOYSA-N
XLogP3.67
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 51694814
2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide
CID 136555141
methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 51855981
1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone
CID 126758652
(2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 51856535
(2R)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-7-oxoazepane-2-carboxamide
CID 125145251
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide
CID 93076688
N-(1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)azepane-1-carboxamide
CID 50945546
(2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894227
(2R)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894228
(2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 51694827
N-(4-fluorophenyl)-2-phenylazetidine-1-carboxamide
CID 47034423

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide (CID 167811800) is 2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide is Cc1nc2ccc(NC(=O)N3CCC3c3ccc(Cl)cc3)cn2n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide?
The InChIKey is XZYOBIMRTHDNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-11-19-16-7-6-14(10-23(16)21-11)20-17(24)22-9-8-15(22)12-2-4-13(18)5-3-12/h2-7,10,15H,8-9H2,1H3,(H,20,24).
What are the key properties of 2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide?
2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide is sourced from PubChem (CID 167811800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).