4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide

C19H15N5O2S — CID 126479058

IUPAC4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(Cn2nnc3ccsc3c2=O)cc1
InChIInChI=1S/C19H15N5O2S/c25-18(21-11-14-2-1-8-20-10-14)15-5-3-13(4-6-15)12-24-19(26)17-16(22-23-24)7-9-27-17/h1-10H,11-12H2,(H,21,25)
InChIKeyPEDQEPTWZGPWCF-UHFFFAOYSA-N
MW377.43 g/mol
LogP2.23
Rot. Bonds5

About 4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide

4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 126479058) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID126479058
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC Name4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(Cn2nnc3ccsc3c2=O)cc1
InChIInChI=1S/C19H15N5O2S/c25-18(21-11-14-2-1-8-20-10-14)15-5-3-13(4-6-15)12-24-19(26)17-16(22-23-24)7-9-27-17/h1-10H,11-12H2,(H,21,25)
InChIKeyPEDQEPTWZGPWCF-UHFFFAOYSA-N
XLogP2.23
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide
CID 126479054
N-[(3-methoxyphenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide
CID 22588506
N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)benzamide
CID 110690313
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
N-[(4-fluorophenyl)methyl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide
CID 23770253
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 25230103
4-[[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 53135643
4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921887
4-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4693483
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 17015853
4-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 46002819

Frequently Asked Questions

What is the IUPAC name of 4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide (CID 126479058) is 4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(Cn2nnc3ccsc3c2=O)cc1.
What is the InChIKey of 4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is PEDQEPTWZGPWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c25-18(21-11-14-2-1-8-20-10-14)15-5-3-13(4-6-15)12-24-19(26)17-16(22-23-24)7-9-27-17/h1-10H,11-12H2,(H,21,25).
What are the key properties of 4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 377.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 126479058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).