4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-(oxetan-3-yl)benzamide

C23H21ClN2O3 — CID 90415247

IUPAC4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-(oxetan-3-yl)benzamide
SMILESCOc1ncc(Cc2ccc(C(=O)NC3COC3)cc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C23H21ClN2O3/c1-28-23-21(18-3-2-4-19(24)11-18)10-16(12-25-23)9-15-5-7-17(8-6-15)22(27)26-20-13-29-14-20/h2-8,10-12,20H,9,13-14H2,1H3,(H,26,27)
InChIKeyTZGPNAJUGJQGON-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.13
Rot. Bonds6

About 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-(oxetan-3-yl)benzamide

4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-(oxetan-3-yl)benzamide (PubChem CID 90415247) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-(oxetan-3-yl)benzamide.

Molecular Properties

Compound Name4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-(oxetan-3-yl)benzamide
PubChem CID90415247
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-(oxetan-3-yl)benzamide
SMILESCOc1ncc(Cc2ccc(C(=O)NC3COC3)cc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C23H21ClN2O3/c1-28-23-21(18-3-2-4-19(24)11-18)10-16(12-25-23)9-15-5-7-17(8-6-15)22(27)26-20-13-29-14-20/h2-8,10-12,20H,9,13-14H2,1H3,(H,26,27)
InChIKeyTZGPNAJUGJQGON-UHFFFAOYSA-N
XLogP4.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-(oxetan-3-yl)benzamide?
The IUPAC name of 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-(oxetan-3-yl)benzamide (CID 90415247) is 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-(oxetan-3-yl)benzamide.
What is the SMILES notation for 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-(oxetan-3-yl)benzamide?
The canonical SMILES for 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-(oxetan-3-yl)benzamide is COc1ncc(Cc2ccc(C(=O)NC3COC3)cc2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-(oxetan-3-yl)benzamide?
The InChIKey is TZGPNAJUGJQGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-28-23-21(18-3-2-4-19(24)11-18)10-16(12-25-23)9-15-5-7-17(8-6-15)22(27)26-20-13-29-14-20/h2-8,10-12,20H,9,13-14H2,1H3,(H,26,27).
What are the key properties of 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-(oxetan-3-yl)benzamide?
4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-(oxetan-3-yl)benzamide has a molecular weight of 408.89 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-(oxetan-3-yl)benzamide is sourced from PubChem (CID 90415247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).