4-propan-2-yl-N-(pyridin-2-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide

C19H21N5O — CID 51052476

IUPAC4-propan-2-yl-N-(pyridin-2-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NCc3ccccn3)c3c(nc21)CCC3
InChIInChI=1S/C19H21N5O/c1-12(2)24-18-15(11-22-24)17(14-7-5-8-16(14)23-18)19(25)21-10-13-6-3-4-9-20-13/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3,(H,21,25)
InChIKeyOOZDGIMGVBWUKT-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.83
Rot. Bonds4

About 4-propan-2-yl-N-(pyridin-2-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide

4-propan-2-yl-N-(pyridin-2-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide (PubChem CID 51052476) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-propan-2-yl-N-(pyridin-2-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(pyridin-2-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
PubChem CID51052476
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-propan-2-yl-N-(pyridin-2-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
SMILESCC(C)n1ncc2c(C(=O)NCc3ccccn3)c3c(nc21)CCC3
InChIInChI=1S/C19H21N5O/c1-12(2)24-18-15(11-22-24)17(14-7-5-8-16(14)23-18)19(25)21-10-13-6-3-4-9-20-13/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3,(H,21,25)
InChIKeyOOZDGIMGVBWUKT-UHFFFAOYSA-N
XLogP2.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-propan-2-yl-N-(pyridin-2-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide with MolForge

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Related Compounds

4-propan-2-yl-N-(pyridin-4-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 45491366
4-propan-2-yl-N-(pyridin-3-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 51053780
6-phenyl-1-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27554312
N-(4-carbamoylphenyl)-4-propan-2-yl-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide
CID 45496159
4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide
CID 46651958
2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 122279906
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 54695771
3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105910
N-[3-(pyridin-2-ylmethylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]pyridine-3-carboxamide
CID 171346498
2-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87044480
1-hydroxy-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 126790220
1-phenyl-5-propan-2-yl-3-propyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42818390

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(pyridin-2-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
The IUPAC name of 4-propan-2-yl-N-(pyridin-2-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide (CID 51052476) is 4-propan-2-yl-N-(pyridin-2-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide.
What is the SMILES notation for 4-propan-2-yl-N-(pyridin-2-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
The canonical SMILES for 4-propan-2-yl-N-(pyridin-2-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide is CC(C)n1ncc2c(C(=O)NCc3ccccn3)c3c(nc21)CCC3.
What is the InChIKey of 4-propan-2-yl-N-(pyridin-2-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
The InChIKey is OOZDGIMGVBWUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12(2)24-18-15(11-22-24)17(14-7-5-8-16(14)23-18)19(25)21-10-13-6-3-4-9-20-13/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3,(H,21,25).
What are the key properties of 4-propan-2-yl-N-(pyridin-2-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide?
4-propan-2-yl-N-(pyridin-2-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(pyridin-2-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide is sourced from PubChem (CID 51052476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).