(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone

C15H21N3O2 — CID 124810653

IUPAC(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone
SMILESCc1ccc2c(n1)N(C)CCN(C(=O)[C@@H]1CCCO1)C2
InChIInChI=1S/C15H21N3O2/c1-11-5-6-12-10-18(8-7-17(2)14(12)16-11)15(19)13-4-3-9-20-13/h5-6,13H,3-4,7-10H2,1-2H3/t13-/m0/s1
InChIKeyOSVWDOPUDXPRLA-ZDUSSCGKSA-N
MW275.35 g/mol
LogP1.35
Rot. Bonds1

About (1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone

(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone (PubChem CID 124810653) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone
PubChem CID124810653
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone
SMILESCc1ccc2c(n1)N(C)CCN(C(=O)[C@@H]1CCCO1)C2
InChIInChI=1S/C15H21N3O2/c1-11-5-6-12-10-18(8-7-17(2)14(12)16-11)15(19)13-4-3-9-20-13/h5-6,13H,3-4,7-10H2,1-2H3/t13-/m0/s1
InChIKeyOSVWDOPUDXPRLA-ZDUSSCGKSA-N
XLogP1.35
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 146091914
[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]-[(2S)-oxolan-2-yl]methanone
CID 124798653
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 56778579
6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913559
[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94150695
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121053900
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 39782177
[4-(3-methylpyrazin-2-yl)-1,4-diazepan-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39782178
3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(oxolan-2-yl)methanone
CID 110646755
[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 163352851
2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104855979

Frequently Asked Questions

What is the IUPAC name of (1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of (1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone (CID 124810653) is (1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for (1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for (1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone is Cc1ccc2c(n1)N(C)CCN(C(=O)[C@@H]1CCCO1)C2.
What is the InChIKey of (1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone?
The InChIKey is OSVWDOPUDXPRLA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-5-6-12-10-18(8-7-17(2)14(12)16-11)15(19)13-4-3-9-20-13/h5-6,13H,3-4,7-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone?
(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone has a molecular weight of 275.35 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 124810653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).