2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide

C21H17N5OS — CID 46400204

IUPAC2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccnc(-n2cccn2)c1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C21H17N5OS/c27-20(18-8-4-10-23-21(18)28-17-6-2-1-3-7-17)24-15-16-9-12-22-19(14-16)26-13-5-11-25-26/h1-14H,15H2,(H,24,27)
InChIKeyLYXRXWBZEDYDRH-UHFFFAOYSA-N
MW387.47 g/mol
LogP3.74
Rot. Bonds6

About 2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide

2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide (PubChem CID 46400204) has the molecular formula C21H17N5OS and a molecular weight of 387.47 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
PubChem CID46400204
Molecular FormulaC21H17N5OS
Molecular Weight387.47 g/mol
Exact Mass387.12
IUPAC Name2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccnc(-n2cccn2)c1)c1cccnc1Sc1ccccc1
InChIInChI=1S/C21H17N5OS/c27-20(18-8-4-10-23-21(18)28-17-6-2-1-3-7-17)24-15-16-9-12-22-19(14-16)26-13-5-11-25-26/h1-14H,15H2,(H,24,27)
InChIKeyLYXRXWBZEDYDRH-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 32587833
N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 18153619
5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide
CID 55690439
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 55662586
2-phenylsulfanyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide
CID 18153772
1-[(2-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 35651512
(2S)-2-(dimethylamino)-2-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 95165130
1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 168955827
2-phenylsulfanyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 30377466
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 55852453
benzyl N-[2-oxo-2-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]ethyl]carbamate
CID 154775336
2-(4-tert-butylphenyl)sulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 55619723

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide (CID 46400204) is 2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccnc(-n2cccn2)c1)c1cccnc1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
The InChIKey is LYXRXWBZEDYDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5OS/c27-20(18-8-4-10-23-21(18)28-17-6-2-1-3-7-17)24-15-16-9-12-22-19(14-16)26-13-5-11-25-26/h1-14H,15H2,(H,24,27).
What are the key properties of 2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide?
2-phenylsulfanyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 3.74, 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-pyrazol-1-yl-4-pyridinyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 46400204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).