(3-methoxyphenyl)-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]methanone

C19H23N3O2 — CID 86797191

IUPAC(3-methoxyphenyl)-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCN(c3cccc(C)n3)CC2)c1
InChIInChI=1S/C19H23N3O2/c1-15-6-3-9-18(20-15)21-10-5-11-22(13-12-21)19(23)16-7-4-8-17(14-16)24-2/h3-4,6-9,14H,5,10-13H2,1-2H3
InChIKeyYDMPZRYFRXXWET-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.75
Rot. Bonds3

About (3-methoxyphenyl)-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]methanone

(3-methoxyphenyl)-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]methanone (PubChem CID 86797191) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]methanone
PubChem CID86797191
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(3-methoxyphenyl)-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCN(c3cccc(C)n3)CC2)c1
InChIInChI=1S/C19H23N3O2/c1-15-6-3-9-18(20-15)21-10-5-11-22(13-12-21)19(23)16-7-4-8-17(14-16)24-2/h3-4,6-9,14H,5,10-13H2,1-2H3
InChIKeyYDMPZRYFRXXWET-UHFFFAOYSA-N
XLogP2.75
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
(3-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755288
(3-methoxyphenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 53180949
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone
CID 108543910
(3-methoxyphenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
CID 134802467
(3-methoxyphenyl)-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 121031903
(3-methoxyphenyl)-[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42065406
(3-methoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292475
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110710958
[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 121038204
(3-methoxyphenyl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 38014441

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]methanone (CID 86797191) is (3-methoxyphenyl)-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]methanone is COc1cccc(C(=O)N2CCCN(c3cccc(C)n3)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is YDMPZRYFRXXWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15-6-3-9-18(20-15)21-10-5-11-22(13-12-21)19(23)16-7-4-8-17(14-16)24-2/h3-4,6-9,14H,5,10-13H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]methanone?
(3-methoxyphenyl)-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 325.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 86797191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).