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

C17H19BrN4O — CID 67738847

IUPAC(5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone
SMILESCN1CCCN(c2cccc(C(=O)c3cncc(Br)c3)n2)CC1
InChIInChI=1S/C17H19BrN4O/c1-21-6-3-7-22(9-8-21)16-5-2-4-15(20-16)17(23)13-10-14(18)12-19-11-13/h2,4-5,10-12H,3,6-9H2,1H3
InChIKeyPNXVKNMRJKSGTC-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.61
Rot. Bonds3

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

(5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone (PubChem CID 67738847) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone
PubChem CID67738847
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC Name(5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone
SMILESCN1CCCN(c2cccc(C(=O)c3cncc(Br)c3)n2)CC1
InChIInChI=1S/C17H19BrN4O/c1-21-6-3-7-22(9-8-21)16-5-2-4-15(20-16)17(23)13-10-14(18)12-19-11-13/h2,4-5,10-12H,3,6-9H2,1H3
InChIKeyPNXVKNMRJKSGTC-UHFFFAOYSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(5-bromo-3-pyridinyl)-[6-[4-(3,3-dimethylbutyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone
CID 67738912
tert-butyl 4-[6-(5-bromopyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 67738443
1-[4-[6-(5-bromopyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 67738894
[6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(4-methylphenyl)-3-pyridinyl]methanone
CID 67738808
2-methyl-1-[4-[6-(pyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]propan-1-one
CID 67738523
(5-bromo-2-methyl-3-pyridinyl)-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 58207524
(5-bromo-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 122333753
[6-[4-(1-methylimidazole-2-carbonyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone
CID 67738653
[6-[4-(2-phenylethyl)-1,4-diazepan-1-yl]-2-pyridinyl]-pyridin-3-ylmethanone
CID 67739145
2-methylsulfonyl-1-[4-[6-(pyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 67738464
(5-bromo-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344098
2,2-dimethylpropyl 4-[6-(pyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 67738504

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone (CID 67738847) is (5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone is CN1CCCN(c2cccc(C(=O)c3cncc(Br)c3)n2)CC1.
What is the InChIKey of (5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone?
The InChIKey is PNXVKNMRJKSGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-21-6-3-7-22(9-8-21)16-5-2-4-15(20-16)17(23)13-10-14(18)12-19-11-13/h2,4-5,10-12H,3,6-9H2,1H3.
What are the key properties of (5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone?
(5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone has a molecular weight of 375.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 67738847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).