spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,5'-4,6-dihydro-1H-cyclopenta[b]pyrrole]-2'-carboxamide

C14H14N4O — CID 170555134

IUPACspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,5'-4,6-dihydro-1H-cyclopenta[b]pyrrole]-2'-carboxamide
SMILESNC(=O)c1cc2c([nH]1)CC1(CNc3ncccc31)C2
InChIInChI=1S/C14H14N4O/c15-12(19)10-4-8-5-14(6-11(8)18-10)7-17-13-9(14)2-1-3-16-13/h1-4,18H,5-7H2,(H2,15,19)(H,16,17)
InChIKeyQJYRSCILRDBPQK-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.97
Rot. Bonds1

About spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,5'-4,6-dihydro-1H-cyclopenta[b]pyrrole]-2'-carboxamide

spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,5'-4,6-dihydro-1H-cyclopenta[b]pyrrole]-2'-carboxamide (PubChem CID 170555134) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,5'-4,6-dihydro-1H-cyclopenta[b]pyrrole]-2'-carboxamide.

Molecular Properties

Compound Namespiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,5'-4,6-dihydro-1H-cyclopenta[b]pyrrole]-2'-carboxamide
PubChem CID170555134
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Namespiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,5'-4,6-dihydro-1H-cyclopenta[b]pyrrole]-2'-carboxamide
SMILESNC(=O)c1cc2c([nH]1)CC1(CNc3ncccc31)C2
InChIInChI=1S/C14H14N4O/c15-12(19)10-4-8-5-14(6-11(8)18-10)7-17-13-9(14)2-1-3-16-13/h1-4,18H,5-7H2,(H2,15,19)(H,16,17)
InChIKeyQJYRSCILRDBPQK-UHFFFAOYSA-N
XLogP0.97
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,5'-4,6-dihydro-1H-cyclopenta[b]pyrrole]-2'-carboxamide?
The IUPAC name of spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,5'-4,6-dihydro-1H-cyclopenta[b]pyrrole]-2'-carboxamide (CID 170555134) is spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,5'-4,6-dihydro-1H-cyclopenta[b]pyrrole]-2'-carboxamide.
What is the SMILES notation for spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,5'-4,6-dihydro-1H-cyclopenta[b]pyrrole]-2'-carboxamide?
The canonical SMILES for spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,5'-4,6-dihydro-1H-cyclopenta[b]pyrrole]-2'-carboxamide is NC(=O)c1cc2c([nH]1)CC1(CNc3ncccc31)C2.
What is the InChIKey of spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,5'-4,6-dihydro-1H-cyclopenta[b]pyrrole]-2'-carboxamide?
The InChIKey is QJYRSCILRDBPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-12(19)10-4-8-5-14(6-11(8)18-10)7-17-13-9(14)2-1-3-16-13/h1-4,18H,5-7H2,(H2,15,19)(H,16,17).
What are the key properties of spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,5'-4,6-dihydro-1H-cyclopenta[b]pyrrole]-2'-carboxamide?
spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,5'-4,6-dihydro-1H-cyclopenta[b]pyrrole]-2'-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.97, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,5'-4,6-dihydro-1H-cyclopenta[b]pyrrole]-2'-carboxamide is sourced from PubChem (CID 170555134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).