5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide

C24H19FN6O2 — CID 19699131

IUPAC5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide
SMILESCc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3cn[nH]c3-c3ncccc32)cn1
InChIInChI=1S/C24H19FN6O2/c1-14-4-6-17(25)11-18(14)23(32)29-20-7-5-16(12-27-20)24(33)31-10-8-15-13-28-30-21(15)22-19(31)3-2-9-26-22/h2-7,9,11-13H,8,10H2,1H3,(H,28,30)(H,27,29,32)
InChIKeyPZDHRAHEWUGZFS-UHFFFAOYSA-N
MW442.45 g/mol
LogP3.77
Rot. Bonds3

About 5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide

5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide (PubChem CID 19699131) has the molecular formula C24H19FN6O2 and a molecular weight of 442.45 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide
PubChem CID19699131
Molecular FormulaC24H19FN6O2
Molecular Weight442.45 g/mol
Exact Mass442.16
IUPAC Name5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide
SMILESCc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3cn[nH]c3-c3ncccc32)cn1
InChIInChI=1S/C24H19FN6O2/c1-14-4-6-17(25)11-18(14)23(32)29-20-7-5-16(12-27-20)24(33)31-10-8-15-13-28-30-21(15)22-19(31)3-2-9-26-22/h2-7,9,11-13H,8,10H2,1H3,(H,28,30)(H,27,29,32)
InChIKeyPZDHRAHEWUGZFS-UHFFFAOYSA-N
XLogP3.77
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide with MolForge

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Related Compounds

5-fluoro-2-methyl-N-[4-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)phenyl]benzamide
CID 19699096
5-chloro-2-fluoro-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide
CID 19699094
N-[5-(4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl)-2-pyridinyl]-5-fluoro-2-methylbenzamide
CID 70069070
(4-aminophenyl)-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-9-yl)methanone
CID 19699088
N-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-2,3-dimethylbenzamide
CID 139690677
N-[3-chloro-4-(4,5-dihydro-1H-pyrazolo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-methylbenzamide
CID 18940518
5-fluoro-N-[3-(4-fluorobenzoyl)-2-pyridinyl]-2-methylbenzamide
CID 146090821
5-fluoro-2-methyl-N-[4-(3-oxa-13-thia-4,9-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-9-carbonyl)phenyl]benzamide
CID 19699061
N-[5-(7-chloro-5-methylidene-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-2-pyridinyl]-2-methylbenzamide
CID 22903466
(6-bromo-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103718991
N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylsulfanylbenzamide
CID 22099571
N-[5-[7-chloro-4,4-difluoro-5-hydroxy-5-(hydroxymethyl)-2,3-dihydro-1-benzazepine-1-carbonyl]-2-pyridinyl]-5-fluoro-2-phenylbenzamide
CID 153301597

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide?
The IUPAC name of 5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide (CID 19699131) is 5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide?
The canonical SMILES for 5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide is Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3cn[nH]c3-c3ncccc32)cn1.
What is the InChIKey of 5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide?
The InChIKey is PZDHRAHEWUGZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O2/c1-14-4-6-17(25)11-18(14)23(32)29-20-7-5-16(12-27-20)24(33)31-10-8-15-13-28-30-21(15)22-19(31)3-2-9-26-22/h2-7,9,11-13H,8,10H2,1H3,(H,28,30)(H,27,29,32).
What are the key properties of 5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide?
5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide has a molecular weight of 442.45 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[5-(3,4,9,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-9-carbonyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 19699131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).