2-phenylsulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

C21H17N5OS — CID 18775282

IUPAC2-phenylsulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1cccnc1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C21H17N5OS/c27-20(18-9-5-12-23-21(18)28-17-7-2-1-3-8-17)25-19-10-13-24-26(19)15-16-6-4-11-22-14-16/h1-14H,15H2,(H,25,27)
InChIKeyRHQIZDNMVAIVJJ-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.12
Rot. Bonds6

About 2-phenylsulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide

2-phenylsulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 18775282) has the molecular formula C21H17N5OS and a molecular weight of 387.47 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID18775282
Molecular FormulaC21H17N5OS
Molecular Weight387.47 g/mol
Exact Mass387.12
IUPAC Name2-phenylsulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1cccnc1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C21H17N5OS/c27-20(18-9-5-12-23-21(18)28-17-7-2-1-3-8-17)25-19-10-13-24-26(19)15-16-6-4-11-22-14-16/h1-14H,15H2,(H,25,27)
InChIKeyRHQIZDNMVAIVJJ-UHFFFAOYSA-N
XLogP4.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 8893060
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 16568023
N-(2-benzylpyrazol-3-yl)-2-phenoxypyridine-3-carboxamide
CID 8890850
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 8892613
N-(2-benzylpyrazol-3-yl)-2-iodobenzamide
CID 55359617
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 8006135
2-(3,4-dimethylphenyl)sulfanyl-N-[2-(furan-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 8892796
N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 78770888
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 8892517
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 43019372
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 43019366
N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26115014

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-phenylsulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide (CID 18775282) is 2-phenylsulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-phenylsulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide is O=C(Nc1ccnn1Cc1cccnc1)c1cccnc1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is RHQIZDNMVAIVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5OS/c27-20(18-9-5-12-23-21(18)28-17-7-2-1-3-8-17)25-19-10-13-24-26(19)15-16-6-4-11-22-14-16/h1-14H,15H2,(H,25,27).
What are the key properties of 2-phenylsulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide?
2-phenylsulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 18775282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).