N-[1-methyl-3-(6-methylsulfanyl-4-oxo-1H-pyridin-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide

C16H16N4O2S — CID 170694300

IUPACN-[1-methyl-3-(6-methylsulfanyl-4-oxo-1H-pyridin-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCSc1cc(=O)cc(-c2cn(C)c3cnc(NC(C)=O)cc23)[nH]1
InChIInChI=1S/C16H16N4O2S/c1-9(21)18-15-6-11-12(8-20(2)14(11)7-17-15)13-4-10(22)5-16(19-13)23-3/h4-8H,1-3H3,(H,19,22)(H,17,18,21)
InChIKeyWTXXABQUYSQOTJ-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.61
Rot. Bonds3

About N-[1-methyl-3-(6-methylsulfanyl-4-oxo-1H-pyridin-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide

N-[1-methyl-3-(6-methylsulfanyl-4-oxo-1H-pyridin-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 170694300) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[1-methyl-3-(6-methylsulfanyl-4-oxo-1H-pyridin-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-methyl-3-(6-methylsulfanyl-4-oxo-1H-pyridin-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID170694300
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[1-methyl-3-(6-methylsulfanyl-4-oxo-1H-pyridin-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCSc1cc(=O)cc(-c2cn(C)c3cnc(NC(C)=O)cc23)[nH]1
InChIInChI=1S/C16H16N4O2S/c1-9(21)18-15-6-11-12(8-20(2)14(11)7-17-15)13-4-10(22)5-16(19-13)23-3/h4-8H,1-3H3,(H,19,22)(H,17,18,21)
InChIKeyWTXXABQUYSQOTJ-UHFFFAOYSA-N
XLogP2.61
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 166132128
N-[3-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 177028709
N-[3-[4-(3-hydroxy-3-methylbutoxy)-6-methylsulfonyl-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170694268
N-[3-(2-ethyl-7-methylsulfanyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 172560580
N-[3-[6-(3-hydroxyoxetan-3-yl)-4-methoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464906
N-[1-methyl-3-[6-methylsulfonyl-4-(oxetan-3-ylmethoxy)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170694301
5-acetamido-3-(4-cyclopropyl-6-methylsulfanyl-2-pyridinyl)pyrrolo[2,3-c]pyridine-1-carboxylic acid
CID 175507451
N-[3-[2-(1,1-difluoroethyl)-6-(oxetan-3-yloxy)pyrimidin-4-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 177028839
N-[3-[4-[2-(3-fluorooxetan-3-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170011606
N-[1-methyl-3-[4-[1-(oxan-4-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170012414
N-[1-methyl-3-[4-[2-(oxetan-3-yl)ethoxy]spiro[5,6-dihydropyrano[3,4-b]pyridine-8,3'-oxolane]-2-yl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170011604
N-[3-[5-[(3S)-3-methoxypyrrolidin-1-yl]-1-(1-methylcyclobutyl)-6-oxopyridazin-3-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 177149789

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(6-methylsulfanyl-4-oxo-1H-pyridin-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[1-methyl-3-(6-methylsulfanyl-4-oxo-1H-pyridin-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 170694300) is N-[1-methyl-3-(6-methylsulfanyl-4-oxo-1H-pyridin-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[1-methyl-3-(6-methylsulfanyl-4-oxo-1H-pyridin-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[1-methyl-3-(6-methylsulfanyl-4-oxo-1H-pyridin-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide is CSc1cc(=O)cc(-c2cn(C)c3cnc(NC(C)=O)cc23)[nH]1.
What is the InChIKey of N-[1-methyl-3-(6-methylsulfanyl-4-oxo-1H-pyridin-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is WTXXABQUYSQOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-9(21)18-15-6-11-12(8-20(2)14(11)7-17-15)13-4-10(22)5-16(19-13)23-3/h4-8H,1-3H3,(H,19,22)(H,17,18,21).
What are the key properties of N-[1-methyl-3-(6-methylsulfanyl-4-oxo-1H-pyridin-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[1-methyl-3-(6-methylsulfanyl-4-oxo-1H-pyridin-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 328.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(6-methylsulfanyl-4-oxo-1H-pyridin-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 170694300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).