2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide

C17H18ClN3O3 — CID 136555141

IUPAC2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC2c2ccc(Cl)cc2)cnc1OC
InChIInChI=1S/C17H18ClN3O3/c1-23-15-9-13(10-19-16(15)24-2)20-17(22)21-8-7-14(21)11-3-5-12(18)6-4-11/h3-6,9-10,14H,7-8H2,1-2H3,(H,20,22)
InChIKeyKXHDWIWZSUFLDP-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.73
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide

2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide (PubChem CID 136555141) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide
PubChem CID136555141
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC2c2ccc(Cl)cc2)cnc1OC
InChIInChI=1S/C17H18ClN3O3/c1-23-15-9-13(10-19-16(15)24-2)20-17(22)21-8-7-14(21)11-3-5-12(18)6-4-11/h3-6,9-10,14H,7-8H2,1-2H3,(H,20,22)
InChIKeyKXHDWIWZSUFLDP-UHFFFAOYSA-N
XLogP3.73
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide
CID 93076688
(2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 51856535
(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 124619097
[(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(1R,2R)-2-(2-methoxyphenyl)cyclopropyl]methanone
CID 97217119
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carboxamide
CID 51856616
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 51694814
methyl 4-[[(2S)-2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]benzoate
CID 51855981
2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747210
(2R)-2-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 94080965
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
2-(4-chlorophenyl)-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)azetidine-1-carboxamide
CID 167811800
1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone
CID 126758652

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide (CID 136555141) is 2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide is COc1cc(NC(=O)N2CCC2c2ccc(Cl)cc2)cnc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide?
The InChIKey is KXHDWIWZSUFLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-23-15-9-13(10-19-16(15)24-2)20-17(22)21-8-7-14(21)11-3-5-12(18)6-4-11/h3-6,9-10,14H,7-8H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide?
2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(5,6-dimethoxy-3-pyridinyl)azetidine-1-carboxamide is sourced from PubChem (CID 136555141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).