1-[(4-methoxyphenyl)methyl]-N-pyridin-4-ylazetidine-2-carboxamide

C17H19N3O2 — CID 139020635

IUPAC1-[(4-methoxyphenyl)methyl]-N-pyridin-4-ylazetidine-2-carboxamide
SMILESCOc1ccc(CN2CCC2C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C17H19N3O2/c1-22-15-4-2-13(3-5-15)12-20-11-8-16(20)17(21)19-14-6-9-18-10-7-14/h2-7,9-10,16H,8,11-12H2,1H3,(H,18,19,21)
InChIKeyCUSXFRXNGWGIRO-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.30
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-N-pyridin-4-ylazetidine-2-carboxamide

1-[(4-methoxyphenyl)methyl]-N-pyridin-4-ylazetidine-2-carboxamide (PubChem CID 139020635) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-N-pyridin-4-ylazetidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-N-pyridin-4-ylazetidine-2-carboxamide
PubChem CID139020635
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-[(4-methoxyphenyl)methyl]-N-pyridin-4-ylazetidine-2-carboxamide
SMILESCOc1ccc(CN2CCC2C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C17H19N3O2/c1-22-15-4-2-13(3-5-15)12-20-11-8-16(20)17(21)19-14-6-9-18-10-7-14/h2-7,9-10,16H,8,11-12H2,1H3,(H,18,19,21)
InChIKeyCUSXFRXNGWGIRO-UHFFFAOYSA-N
XLogP2.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
(2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 95308116
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-1-[(4-methoxyphenyl)methyl]azetidine-2-carboxamide
CID 166416704
(2R)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1352742
(2S)-N-(4-methoxyphenyl)-1-[[(2S,5S)-5-methyloxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 100692030
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55852788
1-[(4-fluorophenyl)methyl]-N-(4-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 71982296
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
(2S,3S)-1-[(4-methoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol;bis(2,2,2-trifluoroacetic acid)
CID 155860599
(2S)-N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 1129906

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-pyridin-4-ylazetidine-2-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-N-pyridin-4-ylazetidine-2-carboxamide (CID 139020635) is 1-[(4-methoxyphenyl)methyl]-N-pyridin-4-ylazetidine-2-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-N-pyridin-4-ylazetidine-2-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-N-pyridin-4-ylazetidine-2-carboxamide is COc1ccc(CN2CCC2C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-N-pyridin-4-ylazetidine-2-carboxamide?
The InChIKey is CUSXFRXNGWGIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-15-4-2-13(3-5-15)12-20-11-8-16(20)17(21)19-14-6-9-18-10-7-14/h2-7,9-10,16H,8,11-12H2,1H3,(H,18,19,21).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-N-pyridin-4-ylazetidine-2-carboxamide?
1-[(4-methoxyphenyl)methyl]-N-pyridin-4-ylazetidine-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-N-pyridin-4-ylazetidine-2-carboxamide is sourced from PubChem (CID 139020635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).