furan-2-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone

C16H19N3O3 — CID 97383570

IUPACfuran-2-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone
SMILESCOCCN1CCN(C(=O)c2ccco2)Cc2cccnc21
InChIInChI=1S/C16H19N3O3/c1-21-11-9-18-7-8-19(16(20)14-5-3-10-22-14)12-13-4-2-6-17-15(13)18/h2-6,10H,7-9,11-12H2,1H3
InChIKeyBGOGYGLUMFKGJV-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.78
Rot. Bonds4

About furan-2-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone

furan-2-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone (PubChem CID 97383570) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is furan-2-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone
PubChem CID97383570
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namefuran-2-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone
SMILESCOCCN1CCN(C(=O)c2ccco2)Cc2cccnc21
InChIInChI=1S/C16H19N3O3/c1-21-11-9-18-7-8-19(16(20)14-5-3-10-22-14)12-13-4-2-6-17-15(13)18/h2-6,10H,7-9,11-12H2,1H3
InChIKeyBGOGYGLUMFKGJV-UHFFFAOYSA-N
XLogP1.78
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze furan-2-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone with MolForge

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Related Compounds

[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyridin-3-ylmethanone
CID 97383574
[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone
CID 97369106
2-ethoxy-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone
CID 97391250
[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-[(2S)-oxolan-2-yl]methanone
CID 124798653
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 16676781
2-(5-fluoro-2-pyridinyl)-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone
CID 131682049
6-(furan-2-carbonyl)-N-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-8-carboxamide
CID 91949384
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
(6R)-4-(furan-2-carbonyl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97150981
N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 39830660
9-(furan-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896391

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone?
The IUPAC name of furan-2-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone (CID 97383570) is furan-2-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone.
What is the SMILES notation for furan-2-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone?
The canonical SMILES for furan-2-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone is COCCN1CCN(C(=O)c2ccco2)Cc2cccnc21.
What is the InChIKey of furan-2-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone?
The InChIKey is BGOGYGLUMFKGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-11-9-18-7-8-19(16(20)14-5-3-10-22-14)12-13-4-2-6-17-15(13)18/h2-6,10H,7-9,11-12H2,1H3.
What are the key properties of furan-2-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone?
furan-2-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone has a molecular weight of 301.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone is sourced from PubChem (CID 97383570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).