(2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone

C20H23N3O4 — CID 110816009

IUPAC(2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCN(C(=O)c3ccccn3)CC2)c(OC)c1
InChIInChI=1S/C20H23N3O4/c1-26-15-7-8-16(18(14-15)27-2)19(24)22-10-5-11-23(13-12-22)20(25)17-6-3-4-9-21-17/h3-4,6-9,14H,5,10-13H2,1-2H3
InChIKeyDWVXBKGSPOROEZ-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.09
Rot. Bonds4

About (2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone

(2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone (PubChem CID 110816009) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone
PubChem CID110816009
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCN(C(=O)c3ccccn3)CC2)c(OC)c1
InChIInChI=1S/C20H23N3O4/c1-26-15-7-8-16(18(14-15)27-2)19(24)22-10-5-11-23(13-12-22)20(25)17-6-3-4-9-21-17/h3-4,6-9,14H,5,10-13H2,1-2H3
InChIKeyDWVXBKGSPOROEZ-UHFFFAOYSA-N
XLogP2.09
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-2-yl-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110816030
(2,4-dimethoxyphenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816641
(2,4-dimethoxy-3-methylphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814077
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
[4-(5-chloro-4-methoxy-2-methylbenzoyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 110814060
cyclohexyl-[4-(2,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807026
(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228487
3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110814587
[2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone
CID 118773491
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 55548173
(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3148007

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone (CID 110816009) is (2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone is COc1ccc(C(=O)N2CCCN(C(=O)c3ccccn3)CC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is DWVXBKGSPOROEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-15-7-8-16(18(14-15)27-2)19(24)22-10-5-11-23(13-12-22)20(25)17-6-3-4-9-21-17/h3-4,6-9,14H,5,10-13H2,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone?
(2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 369.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 110816009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).