3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-4-carboxamide

C19H17N7OS — CID 30414977

IUPAC3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-4-carboxamide
SMILESCSc1nc(C2CC2)cc(C(=O)Nc2cccc(-c3nnnn3C)c2)c1C#N
InChIInChI=1S/C19H17N7OS/c1-26-17(23-24-25-26)12-4-3-5-13(8-12)21-18(27)14-9-16(11-6-7-11)22-19(28-2)15(14)10-20/h3-5,8-9,11H,6-7H2,1-2H3,(H,21,27)
InChIKeyCUPCINAXHFNTSR-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.00
Rot. Bonds5

About 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-4-carboxamide

3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-4-carboxamide (PubChem CID 30414977) has the molecular formula C19H17N7OS and a molecular weight of 391.46 g/mol. Its IUPAC name is 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-4-carboxamide
PubChem CID30414977
Molecular FormulaC19H17N7OS
Molecular Weight391.46 g/mol
Exact Mass391.12
IUPAC Name3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-4-carboxamide
SMILESCSc1nc(C2CC2)cc(C(=O)Nc2cccc(-c3nnnn3C)c2)c1C#N
InChIInChI=1S/C19H17N7OS/c1-26-17(23-24-25-26)12-4-3-5-13(8-12)21-18(27)14-9-16(11-6-7-11)22-19(28-2)15(14)10-20/h3-5,8-9,11H,6-7H2,1-2H3,(H,21,27)
InChIKeyCUPCINAXHFNTSR-UHFFFAOYSA-N
XLogP3.00
TPSA109.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide
CID 55967853
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide
CID 46576352
2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 17422742
3-cyano-6-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-methylsulfanylpyridine-4-carboxamide
CID 55972147
5-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 41360742
3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808067
3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-carboxamide
CID 33136416
N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733195
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
CID 42120035
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 61177985

Frequently Asked Questions

What is the IUPAC name of 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-4-carboxamide (CID 30414977) is 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-4-carboxamide is CSc1nc(C2CC2)cc(C(=O)Nc2cccc(-c3nnnn3C)c2)c1C#N.
What is the InChIKey of 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is CUPCINAXHFNTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7OS/c1-26-17(23-24-25-26)12-4-3-5-13(8-12)21-18(27)14-9-16(11-6-7-11)22-19(28-2)15(14)10-20/h3-5,8-9,11H,6-7H2,1-2H3,(H,21,27).
What are the key properties of 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-4-carboxamide?
3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 30414977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).