2-[2-(4-aminophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C18H16N4O — CID 16720208

IUPAC2-[2-(4-aminophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C18H16N4O/c19-13-3-1-11(2-4-13)16-9-12(5-7-20-16)17-10-14-15(22-17)6-8-21-18(14)23/h1-5,7,9-10,22H,6,8,19H2,(H,21,23)
InChIKeyOVFRSUMNMCYPAW-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.61
Rot. Bonds2

About 2-[2-(4-aminophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-[2-(4-aminophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 16720208) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID16720208
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-[2-(4-aminophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C18H16N4O/c19-13-3-1-11(2-4-13)16-9-12(5-7-20-16)17-10-14-15(22-17)6-8-21-18(14)23/h1-5,7,9-10,22H,6,8,19H2,(H,21,23)
InChIKeyOVFRSUMNMCYPAW-UHFFFAOYSA-N
XLogP2.61
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-(4-aminophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 16720208) is 2-[2-(4-aminophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[2-(4-aminophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-(4-aminophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is Nc1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1.
What is the InChIKey of 2-[2-(4-aminophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is OVFRSUMNMCYPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c19-13-3-1-11(2-4-13)16-9-12(5-7-20-16)17-10-14-15(22-17)6-8-21-18(14)23/h1-5,7,9-10,22H,6,8,19H2,(H,21,23).
What are the key properties of 2-[2-(4-aminophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[2-(4-aminophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 304.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 16720208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).