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

C20H19N5O — CID 72653082

IUPAC2-[2-[[methyl(phenyl)hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCN(N=Cc1cc(-c2cc3c([nH]2)CCNC3=O)ccn1)c1ccccc1
InChIInChI=1S/C20H19N5O/c1-25(16-5-3-2-4-6-16)23-13-15-11-14(7-9-21-15)19-12-17-18(24-19)8-10-22-20(17)26/h2-7,9,11-13,24H,8,10H2,1H3,(H,22,26)
InChIKeyCQKKQMNDEKDFMM-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.83
Rot. Bonds4

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

2-[2-[[methyl(phenyl)hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 72653082) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[2-[[methyl(phenyl)hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-[[methyl(phenyl)hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID72653082
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-[2-[[methyl(phenyl)hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCN(N=Cc1cc(-c2cc3c([nH]2)CCNC3=O)ccn1)c1ccccc1
InChIInChI=1S/C20H19N5O/c1-25(16-5-3-2-4-6-16)23-13-15-11-14(7-9-21-15)19-12-17-18(24-19)8-10-22-20(17)26/h2-7,9,11-13,24H,8,10H2,1H3,(H,22,26)
InChIKeyCQKKQMNDEKDFMM-UHFFFAOYSA-N
XLogP2.83
TPSA73.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(Z)-[methyl-(4-methyl-2-nitrophenyl)hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 91497198
4-[[methyl-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]hydrazinylidene]methyl]benzaldehyde
CID 72652901
2-[2-[2-(2-fluorophenyl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 72653061
2-[2-[(1Z,3E)-4-phenylbuta-1,3-dienyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
CID 159965383
2-[2-[(Z)-C-phenylcarbonohydrazonoyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 90691473
2-(2-pyridin-4-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 16719968
2-[2-[2-[2-(trifluoromethoxy)phenyl]ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 72652967
2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride
CID 169445506
2-[2-[(Z)-C-phenylcarbonohydrazonoyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
CID 159360603
2-[2-[2-(2-chlorophenyl)-1-fluoroethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 72653116
4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid
CID 16720315
2-[2-[(E)-[[4-(morpholine-4-carbonyl)phenyl]hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 10072145

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[methyl(phenyl)hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-[[methyl(phenyl)hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 72653082) is 2-[2-[[methyl(phenyl)hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[2-[[methyl(phenyl)hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-[[methyl(phenyl)hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CN(N=Cc1cc(-c2cc3c([nH]2)CCNC3=O)ccn1)c1ccccc1.
What is the InChIKey of 2-[2-[[methyl(phenyl)hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is CQKKQMNDEKDFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-25(16-5-3-2-4-6-16)23-13-15-11-14(7-9-21-15)19-12-17-18(24-19)8-10-22-20(17)26/h2-7,9,11-13,24H,8,10H2,1H3,(H,22,26).
What are the key properties of 2-[2-[[methyl(phenyl)hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[2-[[methyl(phenyl)hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 345.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[methyl(phenyl)hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 72653082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).