[1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone

C17H26N4O2 — CID 97391293

IUPAC[1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOCCN1CCN(C(=O)N2CCCC2)Cc2ccc(C)nc21
InChIInChI=1S/C17H26N4O2/c1-14-5-6-15-13-21(17(22)20-7-3-4-8-20)10-9-19(11-12-23-2)16(15)18-14/h5-6H,3-4,7-13H2,1-2H3
InChIKeyVZNKUKXWCDAEGV-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.87
Rot. Bonds3

About [1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone

[1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97391293) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID97391293
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name[1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOCCN1CCN(C(=O)N2CCCC2)Cc2ccc(C)nc21
InChIInChI=1S/C17H26N4O2/c1-14-5-6-15-13-21(17(22)20-7-3-4-8-20)10-9-19(11-12-23-2)16(15)18-14/h5-6H,3-4,7-13H2,1-2H3
InChIKeyVZNKUKXWCDAEGV-UHFFFAOYSA-N
XLogP1.87
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Diisopropylaminoethyl)-N-(4,6-dimethyl-2-pyridyl)-N',N'-dimethylurea
CID 173407
1-(4,6-Dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea
CID 12857641
1-[2-(Dimethylamino)ethyl]-1-(4,6-dimethyl-2-pyridinyl)-3,3-dimethylurea;hydrochloride
CID 49860945
1-[2-[Di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-methyl-4-(trideuteriomethyl)-2-pyridinyl]urea
CID 71458113
2-methoxy-1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)ethanone
CID 97383559
(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-pyrrolidin-1-ylmethanone
CID 97383564
cyclopent-3-en-1-yl-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone
CID 97391251
[1-[2-(dimethylamino)ethyl]-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-morpholin-4-ylmethanone
CID 97391284
1-(2-methoxyethyl)-8-methyl-4-(6-methyl-2-pyridinyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97391285
1,8-dimethyl-4-(2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97469089
cyclopropyl-(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methanone
CID 97469091
1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide
CID 97469092

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone (CID 97391293) is [1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone is COCCN1CCN(C(=O)N2CCCC2)Cc2ccc(C)nc21.
What is the InChIKey of [1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VZNKUKXWCDAEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-14-5-6-15-13-21(17(22)20-7-3-4-8-20)10-9-19(11-12-23-2)16(15)18-14/h5-6H,3-4,7-13H2,1-2H3.
What are the key properties of [1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 318.42 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)-8-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97391293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).