N-(6-chloro-5-methyl-3-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-3-carboxamide

C18H12ClN5O — CID 90701800

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-3-carboxamide
SMILESCc1cc(NC(=O)c2cnc3cccc4cncnc4c2-3)cnc1Cl
InChIInChI=1S/C18H12ClN5O/c1-10-5-12(7-22-17(10)19)24-18(25)13-8-21-14-4-2-3-11-6-20-9-23-16(11)15(13)14/h2-9H,1H3,(H,24,25)
InChIKeyMIMJEXVMASHABC-UHFFFAOYSA-N
MW349.78 g/mol
LogP3.74
Rot. Bonds2

About N-(6-chloro-5-methyl-3-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-3-carboxamide

N-(6-chloro-5-methyl-3-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-3-carboxamide (PubChem CID 90701800) has the molecular formula C18H12ClN5O and a molecular weight of 349.78 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-3-carboxamide
PubChem CID90701800
Molecular FormulaC18H12ClN5O
Molecular Weight349.78 g/mol
Exact Mass349.07
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-3-carboxamide
SMILESCc1cc(NC(=O)c2cnc3cccc4cncnc4c2-3)cnc1Cl
InChIInChI=1S/C18H12ClN5O/c1-10-5-12(7-22-17(10)19)24-18(25)13-8-21-14-4-2-3-11-6-20-9-23-16(11)15(13)14/h2-9H,1H3,(H,24,25)
InChIKeyMIMJEXVMASHABC-UHFFFAOYSA-N
XLogP3.74
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(6-chloro-5-methyl-3-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-3-carboxamide with MolForge

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Related Compounds

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N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoropyridine-3-carboxamide
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N-(6-chloro-5-methyl-3-pyridinyl)-3-fluoropyridine-4-carboxamide
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N-(6-chloro-5-methyl-3-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide
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N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide
CID 113250442
2-bromo-5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)benzamide
CID 103745291
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)furan-3-carboxamide
CID 107091817
2-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-5-fluorobenzamide
CID 113250431
N-(6-chloro-5-methyl-3-pyridinyl)-1-benzothiophene-3-carboxamide
CID 103745253
N-(6-chloro-5-methyl-3-pyridinyl)-3-hydroxypyridine-2-carboxamide
CID 104954751
N-(6-chloro-5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103745233

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-3-carboxamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-3-carboxamide (CID 90701800) is N-(6-chloro-5-methyl-3-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-3-carboxamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-3-carboxamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-3-carboxamide is Cc1cc(NC(=O)c2cnc3cccc4cncnc4c2-3)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-3-carboxamide?
The InChIKey is MIMJEXVMASHABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O/c1-10-5-12(7-22-17(10)19)24-18(25)13-8-21-14-4-2-3-11-6-20-9-23-16(11)15(13)14/h2-9H,1H3,(H,24,25).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-3-carboxamide?
N-(6-chloro-5-methyl-3-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-3-carboxamide has a molecular weight of 349.78 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,6,8,10,12-heptaene-3-carboxamide is sourced from PubChem (CID 90701800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).