N-[(6-methyl-3-pyridinyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

C18H17N5O2S — CID 127044833

IUPACN-[(6-methyl-3-pyridinyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)NC(=O)CSc2nc3ccccc3nc2C)cn1
InChIInChI=1S/C18H17N5O2S/c1-11-7-8-13(9-19-11)21-18(25)23-16(24)10-26-17-12(2)20-14-5-3-4-6-15(14)22-17/h3-9H,10H2,1-2H3,(H2,21,23,24,25)
InChIKeyUGRSFYKZCVXIHX-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.08
Rot. Bonds4

About N-[(6-methyl-3-pyridinyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

N-[(6-methyl-3-pyridinyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 127044833) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
PubChem CID127044833
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC NameN-[(6-methyl-3-pyridinyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)NC(=O)CSc2nc3ccccc3nc2C)cn1
InChIInChI=1S/C18H17N5O2S/c1-11-7-8-13(9-19-11)21-18(25)23-16(24)10-26-17-12(2)20-14-5-3-4-6-15(14)22-17/h3-9H,10H2,1-2H3,(H2,21,23,24,25)
InChIKeyUGRSFYKZCVXIHX-UHFFFAOYSA-N
XLogP3.08
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(6-methyl-3-pyridinyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (CID 127044833) is N-[(6-methyl-3-pyridinyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is Cc1ccc(NC(=O)NC(=O)CSc2nc3ccccc3nc2C)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is UGRSFYKZCVXIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-11-7-8-13(9-19-11)21-18(25)23-16(24)10-26-17-12(2)20-14-5-3-4-6-15(14)22-17/h3-9H,10H2,1-2H3,(H2,21,23,24,25).
What are the key properties of N-[(6-methyl-3-pyridinyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
N-[(6-methyl-3-pyridinyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 367.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 127044833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).