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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Related Compounds

4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole
CID 86296158
5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1-methylpyridin-2-one
CID 86304433
4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 142769145
5-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-2-methoxypyrimidine
CID 86296758
(1Z,3Z)-2-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]penta-1,3-diene-1,4-diamine
CID 134447582
3-(3-chlorophenyl)-2-methoxy-5-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyridine
CID 90415803
5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-4-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 123654264
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide
CID 70295338
4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine
CID 58020299
methyl 5-(4-chlorophenyl)-6-methoxypyridine-3-carboxylate
CID 175171201
2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride
CID 68790293
6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide
CID 131988817

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).