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

C17H20N4O2 — CID 97383574

IUPAC[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyridin-3-ylmethanone
SMILESCOCCN1CCN(C(=O)c2cccnc2)Cc2cccnc21
InChIInChI=1S/C17H20N4O2/c1-23-11-10-20-8-9-21(13-15-5-3-7-19-16(15)20)17(22)14-4-2-6-18-12-14/h2-7,12H,8-11,13H2,1H3
InChIKeyIGAXCVSIZNLYFS-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.59
Rot. Bonds4

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

[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyridin-3-ylmethanone (PubChem CID 97383574) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyridin-3-ylmethanone
PubChem CID97383574
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyridin-3-ylmethanone
SMILESCOCCN1CCN(C(=O)c2cccnc2)Cc2cccnc21
InChIInChI=1S/C17H20N4O2/c1-23-11-10-20-8-9-21(13-15-5-3-7-19-16(15)20)17(22)14-4-2-6-18-12-14/h2-7,12H,8-11,13H2,1H3
InChIKeyIGAXCVSIZNLYFS-UHFFFAOYSA-N
XLogP1.59
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone
CID 97369106
furan-2-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone
CID 97383570
[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-[(2S)-oxolan-2-yl]methanone
CID 124798653
2-ethoxy-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone
CID 97391250
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
[1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrazin-2-ylmethanone
CID 97469118
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
[1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155836338
3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 826549
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 94646302

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyridin-3-ylmethanone?
The IUPAC name of [1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyridin-3-ylmethanone (CID 97383574) is [1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyridin-3-ylmethanone is COCCN1CCN(C(=O)c2cccnc2)Cc2cccnc21.
What is the InChIKey of [1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyridin-3-ylmethanone?
The InChIKey is IGAXCVSIZNLYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-11-10-20-8-9-21(13-15-5-3-7-19-16(15)20)17(22)14-4-2-6-18-12-14/h2-7,12H,8-11,13H2,1H3.
What are the key properties of [1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyridin-3-ylmethanone?
[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyridin-3-ylmethanone has a molecular weight of 312.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 97383574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).