N-(3-ethoxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide

C20H20N4O2 — CID 91081771

IUPACN-(3-ethoxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
SMILESCCOc1cccc(NC(=O)c2c[nH]c3c2-c2ncncc2CCC3)c1
InChIInChI=1S/C20H20N4O2/c1-2-26-15-7-4-6-14(9-15)24-20(25)16-11-22-17-8-3-5-13-10-21-12-23-19(13)18(16)17/h4,6-7,9-12,22H,2-3,5,8H2,1H3,(H,24,25)
InChIKeyBONFPXDNLHONTL-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.61
Rot. Bonds4

About N-(3-ethoxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide

N-(3-ethoxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide (PubChem CID 91081771) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
PubChem CID91081771
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(3-ethoxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
SMILESCCOc1cccc(NC(=O)c2c[nH]c3c2-c2ncncc2CCC3)c1
InChIInChI=1S/C20H20N4O2/c1-2-26-15-7-4-6-14(9-15)24-20(25)16-11-22-17-8-3-5-13-10-21-12-23-19(13)18(16)17/h4,6-7,9-12,22H,2-3,5,8H2,1H3,(H,24,25)
InChIKeyBONFPXDNLHONTL-UHFFFAOYSA-N
XLogP3.61
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-ethoxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide with MolForge

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Related Compounds

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
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
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-(3-ethoxyphenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 110089442
N-(3-ethoxyphenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81237400
N-(3-ethoxyphenyl)-2-hydrazinylbenzamide
CID 62247314
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079
N-(3-ethoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 174738828
N-[3-[3-amino-3-(4-methylcyclohexyl)propoxy]phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
CID 159899866
6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
CID 66463087
5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
CID 61061483

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide?
The IUPAC name of 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) is N-(3-ethoxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide?
The canonical SMILES for N-(3-ethoxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide is CCOc1cccc(NC(=O)c2c[nH]c3c2-c2ncncc2CCC3)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide?
The InChIKey is BONFPXDNLHONTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-26-15-7-4-6-14(9-15)24-20(25)16-11-22-17-8-3-5-13-10-21-12-23-19(13)18(16)17/h4,6-7,9-12,22H,2-3,5,8H2,1H3,(H,24,25).
What are the key properties of N-(3-ethoxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide?
N-(3-ethoxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide is sourced from PubChem (CID 91081771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).