N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide;propane

C19H26N4O3S — CID 144897901

IUPACN-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide;propane
SMILESCCC.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CNC3)nc1
InChIInChI=1S/C16H18N4O3S.C3H8/c1-2-24(22,23)14-4-3-13(18-9-14)8-20-16(21)12-5-11-6-17-10-15(11)19-7-12;1-3-2/h3-5,7,9,17H,2,6,8,10H2,1H3,(H,20,21);3H2,1-2H3
InChIKeyRAFYBRFFYCBGDG-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.22
Rot. Bonds5

About N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide;propane

N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide;propane (PubChem CID 144897901) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide;propane.

Molecular Properties

Compound NameN-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide;propane
PubChem CID144897901
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide;propane
SMILESCCC.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CNC3)nc1
InChIInChI=1S/C16H18N4O3S.C3H8/c1-2-24(22,23)14-4-3-13(18-9-14)8-20-16(21)12-5-11-6-17-10-15(11)19-7-12;1-3-2/h3-5,7,9,17H,2,6,8,10H2,1H3,(H,20,21);3H2,1-2H3
InChIKeyRAFYBRFFYCBGDG-UHFFFAOYSA-N
XLogP2.22
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide;propane?
The IUPAC name of N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide;propane (CID 144897901) is N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide;propane.
What is the SMILES notation for N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide;propane?
The canonical SMILES for N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide;propane is CCC.CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3c(c2)CNC3)nc1.
What is the InChIKey of N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide;propane?
The InChIKey is RAFYBRFFYCBGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S.C3H8/c1-2-24(22,23)14-4-3-13(18-9-14)8-20-16(21)12-5-11-6-17-10-15(11)19-7-12;1-3-2/h3-5,7,9,17H,2,6,8,10H2,1H3,(H,20,21);3H2,1-2H3.
What are the key properties of N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide;propane?
N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide;propane has a molecular weight of 390.51 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide;propane is sourced from PubChem (CID 144897901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).