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

C18H17N5O — CID 90731859

IUPACN-(6-methyl-2-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
SMILESCc1cccc(NC(=O)c2c[nH]c3c2-c2ncncc2CCC3)n1
InChIInChI=1S/C18H17N5O/c1-11-4-2-7-15(22-11)23-18(24)13-9-20-14-6-3-5-12-8-19-10-21-17(12)16(13)14/h2,4,7-10,20H,3,5-6H2,1H3,(H,22,23,24)
InChIKeyYYUAWMBAXNBXMV-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.92
Rot. Bonds2

About 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

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 (PubChem CID 90731859) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
PubChem CID90731859
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-(6-methyl-2-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
SMILESCc1cccc(NC(=O)c2c[nH]c3c2-c2ncncc2CCC3)n1
InChIInChI=1S/C18H17N5O/c1-11-4-2-7-15(22-11)23-18(24)13-9-20-14-6-3-5-12-8-19-10-21-17(12)16(13)14/h2,4,7-10,20H,3,5-6H2,1H3,(H,22,23,24)
InChIKeyYYUAWMBAXNBXMV-UHFFFAOYSA-N
XLogP2.92
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 35505129
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
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-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557960
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
2-acetamido-N-(6-methyl-2-pyridinyl)benzamide
CID 3354177
3-fluoro-N-(6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 115645542
4-chloro-6-methyl-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81225554
6-amino-N-(6-methyl-2-pyridinyl)-1H-indole-3-carboxamide
CID 61095295
4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide
CID 18696546
5-amino-2-methyl-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 54917395

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(NC(=O)c2c[nH]c3c2-c2ncncc2CCC3)n1.
What is the InChIKey of 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?
The InChIKey is YYUAWMBAXNBXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-11-4-2-7-15(22-11)23-18(24)13-9-20-14-6-3-5-12-8-19-10-21-17(12)16(13)14/h2,4,7-10,20H,3,5-6H2,1H3,(H,22,23,24).
What are the key properties of 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?
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 has a molecular weight of 319.37 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90731859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).