6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

C16H18N4O2 — CID 5001187

IUPAC6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C
InChIInChI=1S/C16H18N4O2/c1-4-7-17-15(21)12-9-11-14(19(12)3)18-13-10(2)6-5-8-20(13)16(11)22/h5-6,8-9H,4,7H2,1-3H3,(H,17,21)
InChIKeyJCLJKNSRYYWEFD-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.63
Rot. Bonds3

About 6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 5001187) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound Name6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID5001187
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C
InChIInChI=1S/C16H18N4O2/c1-4-7-17-15(21)12-9-11-14(19(12)3)18-13-10(2)6-5-8-20(13)16(11)22/h5-6,8-9H,4,7H2,1-3H3,(H,17,21)
InChIKeyJCLJKNSRYYWEFD-UHFFFAOYSA-N
XLogP1.63
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide with MolForge

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Related Compounds

6,10-dimethyl-N-(3-methylbutyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 852283
N-(3-methoxypropyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 5001193
6,10-dimethyl-2-oxo-N-(3-propan-2-yloxypropyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 5001194
6,10-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3600771
N-[(2R)-butan-2-yl]-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 852286
N-(furan-2-ylmethyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 852295
N-(2,6-dimethylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 984708
N-(4-chlorophenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 4624085
6,10-dimethyl-2-oxo-N-(4-phenylbutan-2-yl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3604023
6,10-dimethyl-2-oxo-N-(4-phenoxyphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 5153426
N-ethyl-6,10-dimethyl-N-(3-methylphenyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 984705
ethyl 2-[[6-(3-methoxypropyl)-10-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carbonyl]amino]acetate
CID 4904373

Frequently Asked Questions

What is the IUPAC name of 6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of 6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 5001187) is 6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
What is the SMILES notation for 6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for 6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is CCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C.
What is the InChIKey of 6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is JCLJKNSRYYWEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-4-7-17-15(21)12-9-11-14(19(12)3)18-13-10(2)6-5-8-20(13)16(11)22/h5-6,8-9H,4,7H2,1-3H3,(H,17,21).
What are the key properties of 6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 5001187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).