[6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

C20H26N6O2 — CID 56741230

IUPAC[6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
SMILESO=C(c1ccc(N2CCCOCC2)nc1)N1CCCN(c2ncccn2)CC1
InChIInChI=1S/C20H26N6O2/c27-19(17-4-5-18(23-16-17)24-10-3-14-28-15-13-24)25-8-2-9-26(12-11-25)20-21-6-1-7-22-20/h1,4-7,16H,2-3,8-15H2
InChIKeyJNGNASWFRCTTOF-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.45
Rot. Bonds3

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

[6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone (PubChem CID 56741230) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
PubChem CID56741230
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name[6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
SMILESO=C(c1ccc(N2CCCOCC2)nc1)N1CCCN(c2ncccn2)CC1
InChIInChI=1S/C20H26N6O2/c27-19(17-4-5-18(23-16-17)24-10-3-14-28-15-13-24)25-8-2-9-26(12-11-25)20-21-6-1-7-22-20/h1,4-7,16H,2-3,8-15H2
InChIKeyJNGNASWFRCTTOF-UHFFFAOYSA-N
XLogP1.45
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 56757644
morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone
CID 135111291
[6-(3-methylpiperidin-1-yl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109160667
(3-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109160628
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474
[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153468
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
(4-pyrimidin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295154
[6-(azepan-1-yl)-3-pyridinyl]-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 112818698
[6-(2-methoxyphenyl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 56749250
morpholin-4-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20863908
N,N-dimethyl-4-(6-morpholin-4-ylpyridine-3-carbonyl)piperazine-1-sulfonamide
CID 32505460

Frequently Asked Questions

What is the IUPAC name of [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone (CID 56741230) is [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone is O=C(c1ccc(N2CCCOCC2)nc1)N1CCCN(c2ncccn2)CC1.
What is the InChIKey of [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone?
The InChIKey is JNGNASWFRCTTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c27-19(17-4-5-18(23-16-17)24-10-3-14-28-15-13-24)25-8-2-9-26(12-11-25)20-21-6-1-7-22-20/h1,4-7,16H,2-3,8-15H2.
What are the key properties of [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone?
[6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone has a molecular weight of 382.47 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 56741230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).