6-oxo-4-(6-phenyl-3-pyridinyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile

C19H13N7OS — CID 176980505

IUPAC6-oxo-4-(6-phenyl-3-pyridinyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(-c3ccccc3)nc2)cc(=O)[nH]c1SCc1nn[nH]n1
InChIInChI=1S/C19H13N7OS/c20-9-15-14(8-18(27)22-19(15)28-11-17-23-25-26-24-17)13-6-7-16(21-10-13)12-4-2-1-3-5-12/h1-8,10H,11H2,(H,22,27)(H,23,24,25,26)
InChIKeyFKVLUYYYHVDECR-UHFFFAOYSA-N
MW387.43 g/mol
LogP2.78
Rot. Bonds5

About 6-oxo-4-(6-phenyl-3-pyridinyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile

6-oxo-4-(6-phenyl-3-pyridinyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile (PubChem CID 176980505) has the molecular formula C19H13N7OS and a molecular weight of 387.43 g/mol. Its IUPAC name is 6-oxo-4-(6-phenyl-3-pyridinyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-oxo-4-(6-phenyl-3-pyridinyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile
PubChem CID176980505
Molecular FormulaC19H13N7OS
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC Name6-oxo-4-(6-phenyl-3-pyridinyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(-c3ccccc3)nc2)cc(=O)[nH]c1SCc1nn[nH]n1
InChIInChI=1S/C19H13N7OS/c20-9-15-14(8-18(27)22-19(15)28-11-17-23-25-26-24-17)13-6-7-16(21-10-13)12-4-2-1-3-5-12/h1-8,10H,11H2,(H,22,27)(H,23,24,25,26)
InChIKeyFKVLUYYYHVDECR-UHFFFAOYSA-N
XLogP2.78
TPSA124.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-oxo-4-(6-phenyl-3-pyridinyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile with MolForge

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Related Compounds

4-benzyl-6-oxo-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile
CID 135188012
3-[(3-cyano-6-oxo-4-phenyl-1H-pyridin-2-yl)sulfanylmethyl]benzoic acid
CID 135188024
3-[3-chloro-5-cyano-2-oxo-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridin-4-yl]benzoic acid
CID 176980406
4-[4-(3-cyclopropylphenyl)phenyl]-2-oxo-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3,5-dicarbonitrile
CID 176980514
4-(4-chlorophenyl)-5-(hydroxymethyl)-6-oxo-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile
CID 176980526
6-(3,4-dichlorophenyl)-2-oxo-4-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile
CID 176980533
4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-6-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3,5-dicarbonitrile
CID 176980246
3-[3-cyano-2-(2-methoxy-2-oxoethyl)sulfanyl-6-oxo-1H-pyridin-4-yl]benzoic acid
CID 176980575
2-oxo-6-pyridin-4-yl-4-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile
CID 176980340
4-[5-[6-(3-cyano-2,7,9-triphenyl-1,10-phenanthrolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenyl-1,10-phenanthroline-3-carbonitrile
CID 88554057
4-[4-(5-cyano-2-pyridinyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585620
2-hydroxy-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
CID 116862156

Frequently Asked Questions

What is the IUPAC name of 6-oxo-4-(6-phenyl-3-pyridinyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-oxo-4-(6-phenyl-3-pyridinyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile (CID 176980505) is 6-oxo-4-(6-phenyl-3-pyridinyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-oxo-4-(6-phenyl-3-pyridinyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-oxo-4-(6-phenyl-3-pyridinyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile is N#Cc1c(-c2ccc(-c3ccccc3)nc2)cc(=O)[nH]c1SCc1nn[nH]n1.
What is the InChIKey of 6-oxo-4-(6-phenyl-3-pyridinyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile?
The InChIKey is FKVLUYYYHVDECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N7OS/c20-9-15-14(8-18(27)22-19(15)28-11-17-23-25-26-24-17)13-6-7-16(21-10-13)12-4-2-1-3-5-12/h1-8,10H,11H2,(H,22,27)(H,23,24,25,26).
What are the key properties of 6-oxo-4-(6-phenyl-3-pyridinyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile?
6-oxo-4-(6-phenyl-3-pyridinyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile has a molecular weight of 387.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-4-(6-phenyl-3-pyridinyl)-2-(2H-tetrazol-5-ylmethylsulfanyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 176980505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).