N-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide

C18H15ClN4O — CID 90893310

IUPACN-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1c[nH]c2c1-c1ncccc1CCC2
InChIInChI=1S/C18H15ClN4O/c19-15-7-6-12(9-22-15)23-18(24)13-10-21-14-5-1-3-11-4-2-8-20-17(11)16(13)14/h2,4,6-10,21H,1,3,5H2,(H,23,24)
InChIKeyMROKZFKDTYGZIR-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.87
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide

N-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide (PubChem CID 90893310) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
PubChem CID90893310
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC NameN-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1c[nH]c2c1-c1ncccc1CCC2
InChIInChI=1S/C18H15ClN4O/c19-15-7-6-12(9-22-15)23-18(24)13-10-21-14-5-1-3-11-4-2-8-20-17(11)16(13)14/h2,4,6-10,21H,1,3,5H2,(H,23,24)
InChIKeyMROKZFKDTYGZIR-UHFFFAOYSA-N
XLogP3.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,4-difluorophenyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
CID 10131972
N-(1,3,4-thiadiazol-2-yl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
CID 90724795
4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
CID 18696540
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
4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 59672910
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
4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide
CID 18696546
N-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide
CID 78929856
4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(2-methoxyethylamino)benzamide
CID 59781565
N-(6-chloro-3-pyridinyl)-1H-indole-4-carboxamide
CID 79478764
N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 115645692
2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113247998

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide?
The IUPAC name of 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) is N-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide is O=C(Nc1ccc(Cl)nc1)c1c[nH]c2c1-c1ncccc1CCC2.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide?
The InChIKey is MROKZFKDTYGZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-15-7-6-12(9-22-15)23-18(24)13-10-21-14-5-1-3-11-4-2-8-20-17(11)16(13)14/h2,4,6-10,21H,1,3,5H2,(H,23,24).
What are the key properties of N-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide?
N-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide is sourced from PubChem (CID 90893310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).