5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide

C20H20N4O3 — CID 158670228

IUPAC5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2c[nH]c3cnccc23)c1=O
InChIInChI=1S/C20H20N4O3/c1-21-19(26)16-7-13(18(25)6-12-2-3-12)10-24(20(16)27)11-14-8-23-17-9-22-5-4-15(14)17/h4-5,7-10,12,23H,2-3,6,11H2,1H3,(H,21,26)
InChIKeyIDVYFUWLMYMMLE-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.12
Rot. Bonds6

About 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide

5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 158670228) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID158670228
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2c[nH]c3cnccc23)c1=O
InChIInChI=1S/C20H20N4O3/c1-21-19(26)16-7-13(18(25)6-12-2-3-12)10-24(20(16)27)11-14-8-23-17-9-22-5-4-15(14)17/h4-5,7-10,12,23H,2-3,6,11H2,1H3,(H,21,26)
InChIKeyIDVYFUWLMYMMLE-UHFFFAOYSA-N
XLogP2.12
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 158670228) is 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CC2CC2)cn(Cc2c[nH]c3cnccc23)c1=O.
What is the InChIKey of 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is IDVYFUWLMYMMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-21-19(26)16-7-13(18(25)6-12-2-3-12)10-24(20(16)27)11-14-8-23-17-9-22-5-4-15(14)17/h4-5,7-10,12,23H,2-3,6,11H2,1H3,(H,21,26).
What are the key properties of 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide?
5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylacetyl)-N-methyl-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 158670228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).