8-(ethylamino)-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one

C11H16N4O — CID 142566943

IUPAC8-(ethylamino)-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one
SMILESCCNc1ccc2c(n1)N(C)CCNC2=O
InChIInChI=1S/C11H16N4O/c1-3-12-9-5-4-8-10(14-9)15(2)7-6-13-11(8)16/h4-5H,3,6-7H2,1-2H3,(H,12,14)(H,13,16)
InChIKeyQJXZYSZNUXAWKM-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.69
Rot. Bonds2

About 8-(ethylamino)-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one

8-(ethylamino)-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one (PubChem CID 142566943) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 8-(ethylamino)-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one.

Molecular Properties

Compound Name8-(ethylamino)-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one
PubChem CID142566943
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name8-(ethylamino)-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one
SMILESCCNc1ccc2c(n1)N(C)CCNC2=O
InChIInChI=1S/C11H16N4O/c1-3-12-9-5-4-8-10(14-9)15(2)7-6-13-11(8)16/h4-5H,3,6-7H2,1-2H3,(H,12,14)(H,13,16)
InChIKeyQJXZYSZNUXAWKM-UHFFFAOYSA-N
XLogP0.69
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one
CID 142566889
4-[6-(ethylamino)-2-pyridinyl]piperazin-2-one
CID 80763941
4-methyl-1,5,6,7-tetrahydroimidazo[4,5-e][1,4]diazepin-8-one
CID 20872210
N-ethyl-6-(1-methylpiperidin-4-yl)oxy-5-nitropyridin-2-amine
CID 80873157
N-ethyl-5-nitro-6-thiomorpholin-4-ylpyridin-2-amine
CID 80765652
1-[6-(ethylamino)-3-nitro-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103358849
6-(3,3-dimethylpiperidin-1-yl)-N-ethyl-5-nitropyridin-2-amine
CID 80835304
4-[6-(ethylamino)pyrazin-2-yl]piperazin-2-one
CID 78990212
2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine
CID 121204945
3-[[6-(ethylamino)-2-pyridinyl]amino]piperidin-2-one
CID 80817247
4-[[6-(ethylamino)-2-pyridinyl]methyl]-1,4-diazepan-2-one
CID 79233656
4-[2-(ethylamino)-4-pyridinyl]-1-methyl-1,4-diazepan-2-one
CID 102887827

Frequently Asked Questions

What is the IUPAC name of 8-(ethylamino)-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one?
The IUPAC name of 8-(ethylamino)-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one (CID 142566943) is 8-(ethylamino)-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one.
What is the SMILES notation for 8-(ethylamino)-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one?
The canonical SMILES for 8-(ethylamino)-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one is CCNc1ccc2c(n1)N(C)CCNC2=O.
What is the InChIKey of 8-(ethylamino)-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one?
The InChIKey is QJXZYSZNUXAWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-12-9-5-4-8-10(14-9)15(2)7-6-13-11(8)16/h4-5H,3,6-7H2,1-2H3,(H,12,14)(H,13,16).
What are the key properties of 8-(ethylamino)-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one?
8-(ethylamino)-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one has a molecular weight of 220.28 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethylamino)-1-methyl-3,4-dihydro-2H-pyrido[2,3-e][1,4]diazepin-5-one is sourced from PubChem (CID 142566943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).