5-acetamido-1-methyl-N-propylpyrrolo[2,3-b]pyridine-3-carboxamide

C14H18N4O2 — CID 11288823

IUPAC5-acetamido-1-methyl-N-propylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCCNC(=O)c1cn(C)c2ncc(NC(C)=O)cc12
InChIInChI=1S/C14H18N4O2/c1-4-5-15-14(20)12-8-18(3)13-11(12)6-10(7-16-13)17-9(2)19/h6-8H,4-5H2,1-3H3,(H,15,20)(H,17,19)
InChIKeyGZIQOGWLKIEHCW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.67
Rot. Bonds4

About 5-acetamido-1-methyl-N-propylpyrrolo[2,3-b]pyridine-3-carboxamide

5-acetamido-1-methyl-N-propylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 11288823) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-acetamido-1-methyl-N-propylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-acetamido-1-methyl-N-propylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID11288823
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-acetamido-1-methyl-N-propylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCCNC(=O)c1cn(C)c2ncc(NC(C)=O)cc12
InChIInChI=1S/C14H18N4O2/c1-4-5-15-14(20)12-8-18(3)13-11(12)6-10(7-16-13)17-9(2)19/h6-8H,4-5H2,1-3H3,(H,15,20)(H,17,19)
InChIKeyGZIQOGWLKIEHCW-UHFFFAOYSA-N
XLogP1.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-1-methyl-N-propylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-acetamido-1-methyl-N-propylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 11288823) is 5-acetamido-1-methyl-N-propylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-acetamido-1-methyl-N-propylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-acetamido-1-methyl-N-propylpyrrolo[2,3-b]pyridine-3-carboxamide is CCCNC(=O)c1cn(C)c2ncc(NC(C)=O)cc12.
What is the InChIKey of 5-acetamido-1-methyl-N-propylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is GZIQOGWLKIEHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-4-5-15-14(20)12-8-18(3)13-11(12)6-10(7-16-13)17-9(2)19/h6-8H,4-5H2,1-3H3,(H,15,20)(H,17,19).
What are the key properties of 5-acetamido-1-methyl-N-propylpyrrolo[2,3-b]pyridine-3-carboxamide?
5-acetamido-1-methyl-N-propylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-1-methyl-N-propylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 11288823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).