N-(3-fluorophenyl)-4-(12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C21H20FN5O2 — CID 162362138

IUPACN-(3-fluorophenyl)-4-(12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CC=C(c2ncnc3[nH]c4c(c23)COCC4)CC1
InChIInChI=1S/C21H20FN5O2/c22-14-2-1-3-15(10-14)25-21(28)27-7-4-13(5-8-27)19-18-16-11-29-9-6-17(16)26-20(18)24-12-23-19/h1-4,10,12H,5-9,11H2,(H,25,28)(H,23,24,26)
InChIKeyXYUTXRORYQNEMI-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.49
Rot. Bonds2

About N-(3-fluorophenyl)-4-(12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(3-fluorophenyl)-4-(12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 162362138) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID162362138
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC NameN-(3-fluorophenyl)-4-(12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CC=C(c2ncnc3[nH]c4c(c23)COCC4)CC1
InChIInChI=1S/C21H20FN5O2/c22-14-2-1-3-15(10-14)25-21(28)27-7-4-13(5-8-27)19-18-16-11-29-9-6-17(16)26-20(18)24-12-23-19/h1-4,10,12H,5-9,11H2,(H,25,28)(H,23,24,26)
InChIKeyXYUTXRORYQNEMI-UHFFFAOYSA-N
XLogP3.49
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-fluorophenyl)-4-(12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-(12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 162362138) is N-(3-fluorophenyl)-4-(12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CC=C(c2ncnc3[nH]c4c(c23)COCC4)CC1.
What is the InChIKey of N-(3-fluorophenyl)-4-(12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is XYUTXRORYQNEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c22-14-2-1-3-15(10-14)25-21(28)27-7-4-13(5-8-27)19-18-16-11-29-9-6-17(16)26-20(18)24-12-23-19/h1-4,10,12H,5-9,11H2,(H,25,28)(H,23,24,26).
What are the key properties of N-(3-fluorophenyl)-4-(12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(3-fluorophenyl)-4-(12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(12-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 162362138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).