[6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone

C24H26N4O — CID 67739145

IUPAC[6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cccc(N2CCCN(CCc3ccccc3)CC2)n1
InChIInChI=1S/C24H26N4O/c29-24(21-9-5-13-25-19-21)22-10-4-11-23(26-22)28-15-6-14-27(17-18-28)16-12-20-7-2-1-3-8-20/h1-5,7-11,13,19H,6,12,14-18H2
InChIKeySYUANWHOFOKRHX-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.46
Rot. Bonds6

About [6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone

[6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone (PubChem CID 67739145) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is [6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone
PubChem CID67739145
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name[6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cccc(N2CCCN(CCc3ccccc3)CC2)n1
InChIInChI=1S/C24H26N4O/c29-24(21-9-5-13-25-19-21)22-10-4-11-23(26-22)28-15-6-14-27(17-18-28)16-12-20-7-2-1-3-8-20/h1-5,7-11,13,19H,6,12,14-18H2
InChIKeySYUANWHOFOKRHX-UHFFFAOYSA-N
XLogP3.46
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

2-methyl-1-[4-[6-(pyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]propan-1-one
CID 67738523
2-(4-methylphenyl)-1-[4-[6-(pyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 67738528
2-methylsulfonyl-1-[4-[6-(pyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 67738464
[6-[4-(1-methylimidazole-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone
CID 67738653
2,2-dimethylpropyl 4-[6-(pyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 67738504
[6-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-pyridin-3-ylmethanone
CID 67739670
(5-bromo-3-pyridinyl)-[6-[4-(3,3-dimethylbutyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone
CID 67738912
pyridin-3-yl-[6-(3-pyridin-3-ylpiperidin-1-yl)-2-pyridinyl]methanone
CID 123379335
1-(6-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 133313558
6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 173077858
1-(3-phenylpropyl)-4-pyrazin-2-yl-1,4-diazepane
CID 70713672
(5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone
CID 67738847

Frequently Asked Questions

What is the IUPAC name of [6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone?
The IUPAC name of [6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone (CID 67739145) is [6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone?
The canonical SMILES for [6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone is O=C(c1cccnc1)c1cccc(N2CCCN(CCc3ccccc3)CC2)n1.
What is the InChIKey of [6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone?
The InChIKey is SYUANWHOFOKRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(21-9-5-13-25-19-21)22-10-4-11-23(26-22)28-15-6-14-27(17-18-28)16-12-20-7-2-1-3-8-20/h1-5,7-11,13,19H,6,12,14-18H2.
What are the key properties of [6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone?
[6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone has a molecular weight of 386.50 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 67739145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).