2-imino-2-pyridin-3-yl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)ethanone

C20H14N4O — CID 163903684

IUPAC2-imino-2-pyridin-3-yl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)ethanone
SMILES[H]/N=C(/C(=O)c1ccc(-n2ccc3cccnc32)cc1)c1cccnc1
InChIInChI=1S/C20H14N4O/c21-18(16-4-1-10-22-13-16)19(25)14-5-7-17(8-6-14)24-12-9-15-3-2-11-23-20(15)24/h1-13,21H/b21-18+
InChIKeyQMAYYDNSZGPGLD-DYTRJAOYSA-N
MW326.36 g/mol
LogP3.67
Rot. Bonds4

About 2-imino-2-pyridin-3-yl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)ethanone

2-imino-2-pyridin-3-yl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)ethanone (PubChem CID 163903684) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-imino-2-pyridin-3-yl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)ethanone.

Molecular Properties

Compound Name2-imino-2-pyridin-3-yl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)ethanone
PubChem CID163903684
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name2-imino-2-pyridin-3-yl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)ethanone
SMILES[H]/N=C(/C(=O)c1ccc(-n2ccc3cccnc32)cc1)c1cccnc1
InChIInChI=1S/C20H14N4O/c21-18(16-4-1-10-22-13-16)19(25)14-5-7-17(8-6-14)24-12-9-15-3-2-11-23-20(15)24/h1-13,21H/b21-18+
InChIKeyQMAYYDNSZGPGLD-DYTRJAOYSA-N
XLogP3.67
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-phenylpyrrolo[2,3-b]pyridine
CID 18372148
2-pyrimidin-5-yl-4-pyrrolo[2,3-b]pyridin-1-ylbenzenecarboximidamide
CID 69200392
2-(5-pyrrolo[2,3-b]pyridin-1-yl-2-pyridinyl)propan-2-ol
CID 140781022
4-pyrrolo[2,3-b]pyridin-1-ylbenzonitrile
CID 53302005
N,N-dimethyl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)methanamine
CID 44521487
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
(E)-2-bromo-1-pyridin-3-ylbut-2-en-1-imine
CID 118504147
2-oxo-2-pyridin-3-ylethanimidamide;hydrochloride
CID 141168429
2-[1-pyridin-3-yl-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)imidazol-4-yl]-1,3-thiazole
CID 25031548
butyl 2-imino-2-pyridin-3-ylacetate
CID 139939287
(Z)-2,3-dimethyl-1-pyridin-3-ylpent-2-ene-1,4-diimine;ethane
CID 176694483
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549

Frequently Asked Questions

What is the IUPAC name of 2-imino-2-pyridin-3-yl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)ethanone?
The IUPAC name of 2-imino-2-pyridin-3-yl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)ethanone (CID 163903684) is 2-imino-2-pyridin-3-yl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)ethanone.
What is the SMILES notation for 2-imino-2-pyridin-3-yl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)ethanone?
The canonical SMILES for 2-imino-2-pyridin-3-yl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)ethanone is [H]/N=C(/C(=O)c1ccc(-n2ccc3cccnc32)cc1)c1cccnc1.
What is the InChIKey of 2-imino-2-pyridin-3-yl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)ethanone?
The InChIKey is QMAYYDNSZGPGLD-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c21-18(16-4-1-10-22-13-16)19(25)14-5-7-17(8-6-14)24-12-9-15-3-2-11-23-20(15)24/h1-13,21H/b21-18+.
What are the key properties of 2-imino-2-pyridin-3-yl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)ethanone?
2-imino-2-pyridin-3-yl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)ethanone has a molecular weight of 326.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-pyridin-3-yl-1-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)ethanone is sourced from PubChem (CID 163903684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).