N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

C15H19N3O3S — CID 154755226

IUPACN-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCC(CS(C)(=O)=O)N(C(=O)c1c[nH]c2cccnc12)C1CC1
InChIInChI=1S/C15H19N3O3S/c1-10(9-22(2,20)21)18(11-5-6-11)15(19)12-8-17-13-4-3-7-16-14(12)13/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3
InChIKeyZMRIPHDWCNBUJW-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.60
Rot. Bonds5

About N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 154755226) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID154755226
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCC(CS(C)(=O)=O)N(C(=O)c1c[nH]c2cccnc12)C1CC1
InChIInChI=1S/C15H19N3O3S/c1-10(9-22(2,20)21)18(11-5-6-11)15(19)12-8-17-13-4-3-7-16-14(12)13/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3
InChIKeyZMRIPHDWCNBUJW-UHFFFAOYSA-N
XLogP1.60
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (CID 154755226) is N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is CC(CS(C)(=O)=O)N(C(=O)c1c[nH]c2cccnc12)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is ZMRIPHDWCNBUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10(9-22(2,20)21)18(11-5-6-11)15(19)12-8-17-13-4-3-7-16-14(12)13/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 154755226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).