2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide

C19H14N6OS — CID 17422807

IUPAC2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C19H14N6OS/c26-18(22-14-8-10-15(11-9-14)25-13-21-23-24-25)17-7-4-12-20-19(17)27-16-5-2-1-3-6-16/h1-13H,(H,22,26)
InChIKeyFCNOGDMZKYCWDS-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.46
Rot. Bonds5

About 2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide

2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 17422807) has the molecular formula C19H14N6OS and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID17422807
Molecular FormulaC19H14N6OS
Molecular Weight374.43 g/mol
Exact Mass374.09
IUPAC Name2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C19H14N6OS/c26-18(22-14-8-10-15(11-9-14)25-13-21-23-24-25)17-7-4-12-20-19(17)27-16-5-2-1-3-6-16/h1-13H,(H,22,26)
InChIKeyFCNOGDMZKYCWDS-UHFFFAOYSA-N
XLogP3.46
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(diethylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 2558813
2-phenylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55532652
2-phenylsulfanyl-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-3-carboxamide
CID 39677967
2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729277
N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26086401
2-fluoro-N-[4-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 61295474
4-phenoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729233
N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26115014
N-[3-(cyclopropanecarbonylamino)phenyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 38326707
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 43019366
2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729305
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide (CID 17422807) is 2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(-n2cnnn2)cc1)c1cccnc1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is FCNOGDMZKYCWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6OS/c26-18(22-14-8-10-15(11-9-14)25-13-21-23-24-25)17-7-4-12-20-19(17)27-16-5-2-1-3-6-16/h1-13H,(H,22,26).
What are the key properties of 2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide?
2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 374.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 17422807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).