[6-(diethylamino)-3-pyridinyl]-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone

C23H30N4O3 — CID 48680586

IUPAC[6-(diethylamino)-3-pyridinyl]-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCCN(C(=O)c3ccccc3OC)CC2)cn1
InChIInChI=1S/C23H30N4O3/c1-4-25(5-2)21-12-11-18(17-24-21)22(28)26-13-8-14-27(16-15-26)23(29)19-9-6-7-10-20(19)30-3/h6-7,9-12,17H,4-5,8,13-16H2,1-3H3
InChIKeyUIJXUKBFNXHEPK-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.92
Rot. Bonds6

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

[6-(diethylamino)-3-pyridinyl]-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone (PubChem CID 48680586) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is [6-(diethylamino)-3-pyridinyl]-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name[6-(diethylamino)-3-pyridinyl]-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
PubChem CID48680586
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name[6-(diethylamino)-3-pyridinyl]-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCCN(C(=O)c3ccccc3OC)CC2)cn1
InChIInChI=1S/C23H30N4O3/c1-4-25(5-2)21-12-11-18(17-24-21)22(28)26-13-8-14-27(16-15-26)23(29)19-9-6-7-10-20(19)30-3/h6-7,9-12,17H,4-5,8,13-16H2,1-3H3
InChIKeyUIJXUKBFNXHEPK-UHFFFAOYSA-N
XLogP2.92
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(diethylamino)-3-pyridinyl]-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone with MolForge

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Related Compounds

[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110798465
(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 32770368
1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109155193
[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108544120
[6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone
CID 48679733
(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088
(4-fluoro-3-methylphenyl)-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110816500
2-(diethylamino)-1-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 56552747
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(2-methoxyphenyl)methanone
CID 63308302
[4-(2-butoxybenzoyl)-1,4-diazepan-1-yl]-(2-butoxyphenyl)methanone
CID 4981271
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027

Frequently Asked Questions

What is the IUPAC name of [6-(diethylamino)-3-pyridinyl]-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of [6-(diethylamino)-3-pyridinyl]-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone (CID 48680586) is [6-(diethylamino)-3-pyridinyl]-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for [6-(diethylamino)-3-pyridinyl]-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for [6-(diethylamino)-3-pyridinyl]-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone is CCN(CC)c1ccc(C(=O)N2CCCN(C(=O)c3ccccc3OC)CC2)cn1.
What is the InChIKey of [6-(diethylamino)-3-pyridinyl]-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is UIJXUKBFNXHEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-4-25(5-2)21-12-11-18(17-24-21)22(28)26-13-8-14-27(16-15-26)23(29)19-9-6-7-10-20(19)30-3/h6-7,9-12,17H,4-5,8,13-16H2,1-3H3.
What are the key properties of [6-(diethylamino)-3-pyridinyl]-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone?
[6-(diethylamino)-3-pyridinyl]-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 410.52 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylamino)-3-pyridinyl]-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 48680586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).