morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone

C21H27N5O2 — CID 135111291

IUPACmorpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone
SMILESO=C(c1ccc(N2CCCN(Cc3ccccn3)CC2)nc1)N1CCOCC1
InChIInChI=1S/C21H27N5O2/c27-21(26-12-14-28-15-13-26)18-5-6-20(23-16-18)25-9-3-8-24(10-11-25)17-19-4-1-2-7-22-19/h1-2,4-7,16H,3,8-15,17H2
InChIKeyCGCFTBAWIZSBAN-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.66
Rot. Bonds4

About morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone

morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone (PubChem CID 135111291) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone
PubChem CID135111291
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Namemorpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone
SMILESO=C(c1ccc(N2CCCN(Cc3ccccn3)CC2)nc1)N1CCOCC1
InChIInChI=1S/C21H27N5O2/c27-21(26-12-14-28-15-13-26)18-5-6-20(23-16-18)25-9-3-8-24(10-11-25)17-19-4-1-2-7-22-19/h1-2,4-7,16H,3,8-15,17H2
InChIKeyCGCFTBAWIZSBAN-UHFFFAOYSA-N
XLogP1.66
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone with MolForge

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Related Compounds

[6-(1,4-oxazepan-4-yl)-3-pyridinyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 56741230
(6-morpholin-4-ylpyridazin-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 121028249
6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine
CID 67519428
[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-(4-pyrimidin-2-ylphenyl)methanone
CID 119066976
[4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 35901272
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 704367
[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153468
[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154014
[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 90647769
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550
morpholin-4-yl-[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methanone
CID 134072230
methyl 6-[4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbonyl]pyridine-3-carboxylate
CID 3793031

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone?
The IUPAC name of morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone (CID 135111291) is morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone.
What is the SMILES notation for morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone?
The canonical SMILES for morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone is O=C(c1ccc(N2CCCN(Cc3ccccn3)CC2)nc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone?
The InChIKey is CGCFTBAWIZSBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c27-21(26-12-14-28-15-13-26)18-5-6-20(23-16-18)25-9-3-8-24(10-11-25)17-19-4-1-2-7-22-19/h1-2,4-7,16H,3,8-15,17H2.
What are the key properties of morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone?
morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone has a molecular weight of 381.48 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 135111291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).