11-ethyl-N-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide

C15H19N3O — CID 58049578

IUPAC11-ethyl-N-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide
SMILESCCC1=CN2CN3C(C(=O)NC)=CC=CC3C2C=C1
InChIInChI=1S/C15H19N3O/c1-3-11-7-8-12-13-5-4-6-14(15(19)16-2)18(13)10-17(12)9-11/h4-9,12-13H,3,10H2,1-2H3,(H,16,19)
InChIKeyADQIRXCKJUXPCK-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.36
Rot. Bonds2

About 11-ethyl-N-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide

11-ethyl-N-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide (PubChem CID 58049578) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 11-ethyl-N-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide.

Molecular Properties

Compound Name11-ethyl-N-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide
PubChem CID58049578
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name11-ethyl-N-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide
SMILESCCC1=CN2CN3C(C(=O)NC)=CC=CC3C2C=C1
InChIInChI=1S/C15H19N3O/c1-3-11-7-8-12-13-5-4-6-14(15(19)16-2)18(13)10-17(12)9-11/h4-9,12-13H,3,10H2,1-2H3,(H,16,19)
InChIKeyADQIRXCKJUXPCK-UHFFFAOYSA-N
XLogP1.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrahydro-1h-imidazo [1,5-a]indole-1-one
CID 129777669
N-methyl-11-(methylamino)-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide
CID 57903897
3,7,13-Triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide
CID 70978549
8,11,13-Triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-dione
CID 87581944
3-amino-5-[6-(dimethylamino)-1,2-dihydropyridin-2-yl]-1H-pyridin-2-one
CID 90261395
5-[3-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-1,2-dihydroimidazol-2-yl]-1,3-dimethylpyridin-2-one
CID 134315911
2,12-Diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide
CID 140995616
4-(1-Methyl-6-oxo-2-pyridinyl)-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
CID 141503572
(5Z)-3-ethyl-5-[(2E)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propylidene]imidazolidine-2,4-dione
CID 156556390
5-methyl-3-(3-methyl-2-oxoimidazolidin-1-yl)-1H-pyridin-2-one
CID 167265366
2-ethyl-N-methyl-N-(2-methylprop-1-enyl)-1,2-dihydropyridine-6-carboxamide
CID 178058661
N-(1-ethyl-2-oxo-3-pyridinyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 128790662

Frequently Asked Questions

What is the IUPAC name of 11-ethyl-N-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide?
The IUPAC name of 11-ethyl-N-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide (CID 58049578) is 11-ethyl-N-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide.
What is the SMILES notation for 11-ethyl-N-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide?
The canonical SMILES for 11-ethyl-N-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide is CCC1=CN2CN3C(C(=O)NC)=CC=CC3C2C=C1.
What is the InChIKey of 11-ethyl-N-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide?
The InChIKey is ADQIRXCKJUXPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-11-7-8-12-13-5-4-6-14(15(19)16-2)18(13)10-17(12)9-11/h4-9,12-13H,3,10H2,1-2H3,(H,16,19).
What are the key properties of 11-ethyl-N-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide?
11-ethyl-N-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-N-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide is sourced from PubChem (CID 58049578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).