[6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(4-methylphenyl)-3-pyridinyl]methanone

C23H24N4O — CID 67738808

IUPAC[6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(4-methylphenyl)-3-pyridinyl]methanone
SMILESCc1ccc(-c2cncc(C(=O)c3cccc(N4CCCNCC4)n3)c2)cc1
InChIInChI=1S/C23H24N4O/c1-17-6-8-18(9-7-17)19-14-20(16-25-15-19)23(28)21-4-2-5-22(26-21)27-12-3-10-24-11-13-27/h2,4-9,14-16,24H,3,10-13H2,1H3
InChIKeyPZBAOHIAZJNRCR-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.48
Rot. Bonds4

About [6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(4-methylphenyl)-3-pyridinyl]methanone

[6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(4-methylphenyl)-3-pyridinyl]methanone (PubChem CID 67738808) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is [6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(4-methylphenyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(4-methylphenyl)-3-pyridinyl]methanone
PubChem CID67738808
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(4-methylphenyl)-3-pyridinyl]methanone
SMILESCc1ccc(-c2cncc(C(=O)c3cccc(N4CCCNCC4)n3)c2)cc1
InChIInChI=1S/C23H24N4O/c1-17-6-8-18(9-7-17)19-14-20(16-25-15-19)23(28)21-4-2-5-22(26-21)27-12-3-10-24-11-13-27/h2,4-9,14-16,24H,3,10-13H2,1H3
InChIKeyPZBAOHIAZJNRCR-UHFFFAOYSA-N
XLogP3.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(4-methylphenyl)-3-pyridinyl]methanone?
The IUPAC name of [6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(4-methylphenyl)-3-pyridinyl]methanone (CID 67738808) is [6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(4-methylphenyl)-3-pyridinyl]methanone.
What is the SMILES notation for [6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(4-methylphenyl)-3-pyridinyl]methanone?
The canonical SMILES for [6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(4-methylphenyl)-3-pyridinyl]methanone is Cc1ccc(-c2cncc(C(=O)c3cccc(N4CCCNCC4)n3)c2)cc1.
What is the InChIKey of [6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(4-methylphenyl)-3-pyridinyl]methanone?
The InChIKey is PZBAOHIAZJNRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-17-6-8-18(9-7-17)19-14-20(16-25-15-19)23(28)21-4-2-5-22(26-21)27-12-3-10-24-11-13-27/h2,4-9,14-16,24H,3,10-13H2,1H3.
What are the key properties of [6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(4-methylphenyl)-3-pyridinyl]methanone?
[6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(4-methylphenyl)-3-pyridinyl]methanone has a molecular weight of 372.47 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(4-methylphenyl)-3-pyridinyl]methanone is sourced from PubChem (CID 67738808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).