3-chloro-N-(1-methyltetrazol-5-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide

C11H9ClN8OS — CID 155004954

IUPAC3-chloro-N-(1-methyltetrazol-5-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
SMILESCc1nnc(-c2nccc(C(=O)Nc3nnnn3C)c2Cl)s1
InChIInChI=1S/C11H9ClN8OS/c1-5-15-16-10(22-5)8-7(12)6(3-4-13-8)9(21)14-11-17-18-19-20(11)2/h3-4H,1-2H3,(H,14,17,19,21)
InChIKeyHPKZZOJBWGYYKB-UHFFFAOYSA-N
MW336.77 g/mol
LogP1.34
Rot. Bonds3

About 3-chloro-N-(1-methyltetrazol-5-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide

3-chloro-N-(1-methyltetrazol-5-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide (PubChem CID 155004954) has the molecular formula C11H9ClN8OS and a molecular weight of 336.77 g/mol. Its IUPAC name is 3-chloro-N-(1-methyltetrazol-5-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1-methyltetrazol-5-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
PubChem CID155004954
Molecular FormulaC11H9ClN8OS
Molecular Weight336.77 g/mol
Exact Mass336.03
IUPAC Name3-chloro-N-(1-methyltetrazol-5-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
SMILESCc1nnc(-c2nccc(C(=O)Nc3nnnn3C)c2Cl)s1
InChIInChI=1S/C11H9ClN8OS/c1-5-15-16-10(22-5)8-7(12)6(3-4-13-8)9(21)14-11-17-18-19-20(11)2/h3-4H,1-2H3,(H,14,17,19,21)
InChIKeyHPKZZOJBWGYYKB-UHFFFAOYSA-N
XLogP1.34
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-methyltetrazol-5-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(1-methyltetrazol-5-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide (CID 155004954) is 3-chloro-N-(1-methyltetrazol-5-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(1-methyltetrazol-5-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(1-methyltetrazol-5-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide is Cc1nnc(-c2nccc(C(=O)Nc3nnnn3C)c2Cl)s1.
What is the InChIKey of 3-chloro-N-(1-methyltetrazol-5-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is HPKZZOJBWGYYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN8OS/c1-5-15-16-10(22-5)8-7(12)6(3-4-13-8)9(21)14-11-17-18-19-20(11)2/h3-4H,1-2H3,(H,14,17,19,21).
What are the key properties of 3-chloro-N-(1-methyltetrazol-5-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide?
3-chloro-N-(1-methyltetrazol-5-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 336.77 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-methyltetrazol-5-yl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 155004954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).