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

C19H21N5O — CID 51053780

IUPAC4-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
SMILESCC(C)n1ncc2c(C(=O)NCc3cccnc3)c3c(nc21)CCC3
InChIInChI=1S/C19H21N5O/c1-12(2)24-18-15(11-22-24)17(14-6-3-7-16(14)23-18)19(25)21-10-13-5-4-8-20-9-13/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,21,25)
InChIKeyHTNDQUFXMVYTLM-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.83
Rot. Bonds4

About 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

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 (PubChem CID 51053780) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID51053780
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-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
SMILESCC(C)n1ncc2c(C(=O)NCc3cccnc3)c3c(nc21)CCC3
InChIInChI=1S/C19H21N5O/c1-12(2)24-18-15(11-22-24)17(14-6-3-7-16(14)23-18)19(25)21-10-13-5-4-8-20-9-13/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,21,25)
InChIKeyHTNDQUFXMVYTLM-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-3-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
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
6-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 35805236
1-propan-2-yl-N-(pyridin-3-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36922798
6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24590843
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
5-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109224955
2-amino-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 843554
1,3,5-trimethyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 35335541
4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 47265352
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)n1ncc2c(C(=O)NCc3cccnc3)c3c(nc21)CCC3.
What is the InChIKey of 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?
The InChIKey is HTNDQUFXMVYTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12(2)24-18-15(11-22-24)17(14-6-3-7-16(14)23-18)19(25)21-10-13-5-4-8-20-9-13/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,21,25).
What are the key properties of 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?
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 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-3-ylmethyl)-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide is sourced from PubChem (CID 51053780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).