4-methyl-N-(2-methylidenepyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C14H16N4O — CID 163752481

IUPAC4-methyl-N-(2-methylidenepyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC=C1NCCC1NC(=O)c1cc2c(C)ccnc2[nH]1
InChIInChI=1S/C14H16N4O/c1-8-3-5-16-13-10(8)7-12(17-13)14(19)18-11-4-6-15-9(11)2/h3,5,7,11,15H,2,4,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyLREMCTBUDBJFHJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.48
Rot. Bonds2

About 4-methyl-N-(2-methylidenepyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

4-methyl-N-(2-methylidenepyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 163752481) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-methyl-N-(2-methylidenepyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylidenepyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID163752481
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-methyl-N-(2-methylidenepyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC=C1NCCC1NC(=O)c1cc2c(C)ccnc2[nH]1
InChIInChI=1S/C14H16N4O/c1-8-3-5-16-13-10(8)7-12(17-13)14(19)18-11-4-6-15-9(11)2/h3,5,7,11,15H,2,4,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyLREMCTBUDBJFHJ-UHFFFAOYSA-N
XLogP1.48
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylidenepyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-methyl-N-(2-methylidenepyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 163752481) is 4-methyl-N-(2-methylidenepyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methylidenepyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methylidenepyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is C=C1NCCC1NC(=O)c1cc2c(C)ccnc2[nH]1.
What is the InChIKey of 4-methyl-N-(2-methylidenepyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is LREMCTBUDBJFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-8-3-5-16-13-10(8)7-12(17-13)14(19)18-11-4-6-15-9(11)2/h3,5,7,11,15H,2,4,6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-methyl-N-(2-methylidenepyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
4-methyl-N-(2-methylidenepyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylidenepyrrolidin-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 163752481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).