2-(2-amino-2-oxoethyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide

C17H15N5O2S — CID 55559844

IUPAC2-(2-amino-2-oxoethyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide
SMILESNC(=O)CSc1ccccc1C(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H15N5O2S/c18-15(23)11-25-14-5-2-1-4-13(14)17(24)21-12-6-7-16(19-10-12)22-9-3-8-20-22/h1-10H,11H2,(H2,18,23)(H,21,24)
InChIKeySEXATBFFZFKRRB-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.10
Rot. Bonds6

About 2-(2-amino-2-oxoethyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide

2-(2-amino-2-oxoethyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide (PubChem CID 55559844) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide
PubChem CID55559844
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name2-(2-amino-2-oxoethyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide
SMILESNC(=O)CSc1ccccc1C(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H15N5O2S/c18-15(23)11-25-14-5-2-1-4-13(14)17(24)21-12-6-7-16(19-10-12)22-9-3-8-20-22/h1-10H,11H2,(H2,18,23)(H,21,24)
InChIKeySEXATBFFZFKRRB-UHFFFAOYSA-N
XLogP2.10
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 55566962
2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 17461144
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
(2R)-2-methoxy-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 95279874
2-(2-amino-2-oxoethyl)sulfanyl-N-(1-methylpyrazol-3-yl)benzamide
CID 51248279
(2R)-2-methylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 38951277
2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)quinoline-4-carboxamide
CID 55560796
2-phenylsulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
CID 46548668
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide
CID 36676700
2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide
CID 103754177

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide (CID 55559844) is 2-(2-amino-2-oxoethyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide is NC(=O)CSc1ccccc1C(=O)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide?
The InChIKey is SEXATBFFZFKRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c18-15(23)11-25-14-5-2-1-4-13(14)17(24)21-12-6-7-16(19-10-12)22-9-3-8-20-22/h1-10H,11H2,(H2,18,23)(H,21,24).
What are the key properties of 2-(2-amino-2-oxoethyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide?
2-(2-amino-2-oxoethyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide has a molecular weight of 353.41 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)sulfanyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 55559844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).