N-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide

C17H18N4O4S — CID 166132128

IUPACN-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCOc1cc(-c2cn(C)c3cnc(NC(C)=O)cc23)nc(S(C)(=O)=O)c1
InChIInChI=1S/C17H18N4O4S/c1-10(22)19-16-7-12-13(9-21(2)15(12)8-18-16)14-5-11(25-3)6-17(20-14)26(4,23)24/h5-9H,1-4H3,(H,18,19,22)
InChIKeyISMZRQPQUSCQGK-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.01
Rot. Bonds4

About N-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide

N-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide (PubChem CID 166132128) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
PubChem CID166132128
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC NameN-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
SMILESCOc1cc(-c2cn(C)c3cnc(NC(C)=O)cc23)nc(S(C)(=O)=O)c1
InChIInChI=1S/C17H18N4O4S/c1-10(22)19-16-7-12-13(9-21(2)15(12)8-18-16)14-5-11(25-3)6-17(20-14)26(4,23)24/h5-9H,1-4H3,(H,18,19,22)
InChIKeyISMZRQPQUSCQGK-UHFFFAOYSA-N
XLogP2.01
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[4-(3-hydroxy-3-methylbutoxy)-6-methylsulfonyl-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170694268
N-[1-methyl-3-[6-methylsulfonyl-4-(oxetan-3-ylmethoxy)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170694301
N-[3-[6-(3-hydroxyoxetan-3-yl)-4-methoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464906
N-[3-(2-cyclobutyl-7-methylsulfonyl-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 172560557
N-[3-[2-(1,1-difluoroethyl)pyrimidin-4-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 177028709
N-[3-[6-[(3R)-3-methoxyoxolan-3-yl]-4-propoxy-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139482485
N-[1-methyl-3-(6-methylsulfanyl-4-oxo-1H-pyridin-2-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 170694300
N-[3-[6-(3-methoxyoxolan-3-yl)-2-pyridinyl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139464816
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-[5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
CID 166918667
N-[5-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
CID 166918458
N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918982

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The IUPAC name of N-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide (CID 166132128) is N-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The canonical SMILES for N-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide is COc1cc(-c2cn(C)c3cnc(NC(C)=O)cc23)nc(S(C)(=O)=O)c1.
What is the InChIKey of N-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
The InChIKey is ISMZRQPQUSCQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-10(22)19-16-7-12-13(9-21(2)15(12)8-18-16)14-5-11(25-3)6-17(20-14)26(4,23)24/h5-9H,1-4H3,(H,18,19,22).
What are the key properties of N-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide?
N-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide has a molecular weight of 374.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxy-6-methylsulfonyl-2-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide is sourced from PubChem (CID 166132128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).