N-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide

C16H15N3OS — CID 138574473

IUPACN-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide
SMILESCSCc1cccnc1C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C16H15N3OS/c1-21-11-14-3-2-8-18-15(14)16(20)19-10-13-6-4-12(9-17)5-7-13/h2-8H,10-11H2,1H3,(H,19,20)
InChIKeyKSCSZYKRYFZQSU-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.75
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide

N-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide (PubChem CID 138574473) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide
PubChem CID138574473
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide
SMILESCSCc1cccnc1C(=O)NCc1ccc(C#N)cc1
InChIInChI=1S/C16H15N3OS/c1-21-11-14-3-2-8-18-15(14)16(20)19-10-13-6-4-12(9-17)5-7-13/h2-8H,10-11H2,1H3,(H,19,20)
InChIKeyKSCSZYKRYFZQSU-UHFFFAOYSA-N
XLogP2.75
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78951088
N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide
CID 62269325
4-cyano-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 53184855
N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-3-methylpyridine-2-carboxamide
CID 62339830
2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104232
N-[(4-cyanophenyl)methyl]pyrazine-2-carboxamide
CID 110471356
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
N-[(4-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283449
N-[(4-chlorophenyl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide
CID 26533303
N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide
CID 60737768
N-(1-ethylpiperidin-4-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 146089271

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide (CID 138574473) is N-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide is CSCc1cccnc1C(=O)NCc1ccc(C#N)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
The InChIKey is KSCSZYKRYFZQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-21-11-14-3-2-8-18-15(14)16(20)19-10-13-6-4-12(9-17)5-7-13/h2-8H,10-11H2,1H3,(H,19,20).
What are the key properties of N-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
N-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 138574473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).