2-[(3-chloro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide

C17H18ClN5O2S — CID 164573793

IUPAC2-[(3-chloro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
SMILESCc1cc(SN(C)CC(=O)Nc2ccn(C)c(=O)c2)c2n[nH]c(Cl)c2c1
InChIInChI=1S/C17H18ClN5O2S/c1-10-6-12-16(20-21-17(12)18)13(7-10)26-23(3)9-14(24)19-11-4-5-22(2)15(25)8-11/h4-8H,9H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyFOSKEVARDAQBRR-UHFFFAOYSA-N
MW391.88 g/mol
LogP2.80
Rot. Bonds5

About 2-[(3-chloro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide

2-[(3-chloro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (PubChem CID 164573793) has the molecular formula C17H18ClN5O2S and a molecular weight of 391.88 g/mol. Its IUPAC name is 2-[(3-chloro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
PubChem CID164573793
Molecular FormulaC17H18ClN5O2S
Molecular Weight391.88 g/mol
Exact Mass391.09
IUPAC Name2-[(3-chloro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
SMILESCc1cc(SN(C)CC(=O)Nc2ccn(C)c(=O)c2)c2n[nH]c(Cl)c2c1
InChIInChI=1S/C17H18ClN5O2S/c1-10-6-12-16(20-21-17(12)18)13(7-10)26-23(3)9-14(24)19-11-4-5-22(2)15(25)8-11/h4-8H,9H2,1-3H3,(H,19,24)(H,20,21)
InChIKeyFOSKEVARDAQBRR-UHFFFAOYSA-N
XLogP2.80
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-cyano-5-methyl-1H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
CID 164573495
N-(3-chloro-4-methoxyphenyl)-2-[methyl-(5-methyl-2-nitrophenyl)sulfanylamino]acetamide
CID 164573620
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(3,4-difluorophenyl)acetamide
CID 46573825
tert-butyl N-[3-[(1-methyl-2-oxo-4-pyridinyl)amino]-3-oxopropyl]carbamate
CID 154760852
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715
N-(3,4-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8709970
N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327
4-hydrazinyl-1-methylpyridin-2-one
CID 130656360
N-(3,4-dichlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]acetamide
CID 9198149
2-[1-(4-chlorophenyl)ethyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 46573873
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9198212

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The IUPAC name of 2-[(3-chloro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide (CID 164573793) is 2-[(3-chloro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The canonical SMILES for 2-[(3-chloro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is Cc1cc(SN(C)CC(=O)Nc2ccn(C)c(=O)c2)c2n[nH]c(Cl)c2c1.
What is the InChIKey of 2-[(3-chloro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
The InChIKey is FOSKEVARDAQBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2S/c1-10-6-12-16(20-21-17(12)18)13(7-10)26-23(3)9-14(24)19-11-4-5-22(2)15(25)8-11/h4-8H,9H2,1-3H3,(H,19,24)(H,20,21).
What are the key properties of 2-[(3-chloro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide?
2-[(3-chloro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide has a molecular weight of 391.88 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-5-methyl-2H-indazol-7-yl)sulfanyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide is sourced from PubChem (CID 164573793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).