N-(5-ethoxy-2-pyridinyl)-3-oxa-4,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-13-carboxamide

C18H18N4O3 — CID 136651013

IUPACN-(5-ethoxy-2-pyridinyl)-3-oxa-4,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-13-carboxamide
SMILESCCOc1ccc(NC(=O)c2c[nH]c3c2-c2oncc2CCC3)nc1
InChIInChI=1S/C18H18N4O3/c1-2-24-12-6-7-15(20-9-12)22-18(23)13-10-19-14-5-3-4-11-8-21-25-17(11)16(13)14/h6-10,19H,2-5H2,1H3,(H,20,22,23)
InChIKeyOKGAMEPIIZKGBA-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.20
Rot. Bonds4

About N-(5-ethoxy-2-pyridinyl)-3-oxa-4,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-13-carboxamide

N-(5-ethoxy-2-pyridinyl)-3-oxa-4,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-13-carboxamide (PubChem CID 136651013) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(5-ethoxy-2-pyridinyl)-3-oxa-4,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-13-carboxamide.

Molecular Properties

Compound NameN-(5-ethoxy-2-pyridinyl)-3-oxa-4,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-13-carboxamide
PubChem CID136651013
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(5-ethoxy-2-pyridinyl)-3-oxa-4,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-13-carboxamide
SMILESCCOc1ccc(NC(=O)c2c[nH]c3c2-c2oncc2CCC3)nc1
InChIInChI=1S/C18H18N4O3/c1-2-24-12-6-7-15(20-9-12)22-18(23)13-10-19-14-5-3-4-11-8-21-25-17(11)16(13)14/h6-10,19H,2-5H2,1H3,(H,20,22,23)
InChIKeyOKGAMEPIIZKGBA-UHFFFAOYSA-N
XLogP3.20
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
CID 91081771
N-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
CID 91191686
N-(6-methyl-2-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
CID 90731859
(7S)-N-(4-ethoxyphenyl)-7-methyl-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,11-tetraene-12-carboxamide
CID 90745020
N-(4-ethoxyphenyl)-7-methyl-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,11-tetraene-12-carboxamide
CID 91492436
methyl-N-[2-[4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]phenoxy]ethyl]-N-propylboronamidic acid
CID 59917848
4-methyl-N-(4-pentoxyphenyl)-5-thia-3,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene-13-carboxamide
CID 91400095
N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
CID 59983939
N-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
CID 90893310
N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388915
4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide
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N-(2,3-dihydro-1H-inden-5-yl)-4-ethoxybenzamide
CID 2673454

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-pyridinyl)-3-oxa-4,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-13-carboxamide?
The IUPAC name of N-(5-ethoxy-2-pyridinyl)-3-oxa-4,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-13-carboxamide (CID 136651013) is N-(5-ethoxy-2-pyridinyl)-3-oxa-4,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-13-carboxamide.
What is the SMILES notation for N-(5-ethoxy-2-pyridinyl)-3-oxa-4,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-13-carboxamide?
The canonical SMILES for N-(5-ethoxy-2-pyridinyl)-3-oxa-4,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-13-carboxamide is CCOc1ccc(NC(=O)c2c[nH]c3c2-c2oncc2CCC3)nc1.
What is the InChIKey of N-(5-ethoxy-2-pyridinyl)-3-oxa-4,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-13-carboxamide?
The InChIKey is OKGAMEPIIZKGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-2-24-12-6-7-15(20-9-12)22-18(23)13-10-19-14-5-3-4-11-8-21-25-17(11)16(13)14/h6-10,19H,2-5H2,1H3,(H,20,22,23).
What are the key properties of N-(5-ethoxy-2-pyridinyl)-3-oxa-4,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-13-carboxamide?
N-(5-ethoxy-2-pyridinyl)-3-oxa-4,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-13-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxy-2-pyridinyl)-3-oxa-4,11-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraene-13-carboxamide is sourced from PubChem (CID 136651013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).