N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide

C18H15N3OS — CID 34425101

IUPACN-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)c1ccccn1
InChIInChI=1S/C18H15N3OS/c22-18(17-5-1-2-11-20-17)21-15-6-8-16(9-7-15)23-13-14-4-3-10-19-12-14/h1-12H,13H2,(H,21,22)
InChIKeyQQQFTTVCWIMGFJ-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.02
Rot. Bonds5

About N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide

N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide (PubChem CID 34425101) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
PubChem CID34425101
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC NameN-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(SCc2cccnc2)cc1)c1ccccn1
InChIInChI=1S/C18H15N3OS/c22-18(17-5-1-2-11-20-17)21-15-6-8-16(9-7-15)23-13-14-4-3-10-19-12-14/h1-12H,13H2,(H,21,22)
InChIKeyQQQFTTVCWIMGFJ-UHFFFAOYSA-N
XLogP4.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide
CID 24644970
4-chloro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 63309430
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide
CID 36542645
3-chloro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 62727163
9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide
CID 24620063
(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 78973407
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17423774
5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1-benzofuran-2-carboxamide
CID 55929053
(2S)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide
CID 79024068
2-(1,3-dioxoisoindol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 34425182
2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 134041922

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide (CID 34425101) is N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccccn1.
What is the InChIKey of N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide?
The InChIKey is QQQFTTVCWIMGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c22-18(17-5-1-2-11-20-17)21-15-6-8-16(9-7-15)23-13-14-4-3-10-19-12-14/h1-12H,13H2,(H,21,22).
What are the key properties of N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide?
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 34425101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).