4-oxo-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-cinnoline-3-carboxamide

C23H17N5O3 — CID 86949531

IUPAC4-oxo-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-cinnoline-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1n[nH]c2ccccc2c1=O
InChIInChI=1S/C23H17N5O3/c29-21-17-5-1-2-6-18(17)26-27-20(21)22(30)25-16-7-8-19-14(12-16)9-11-28(19)23(31)15-4-3-10-24-13-15/h1-8,10,12-13H,9,11H2,(H,25,30)(H,26,29)
InChIKeyAODGITLFFFATQM-UHFFFAOYSA-N
MW411.42 g/mol
LogP2.77
Rot. Bonds3

About 4-oxo-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-cinnoline-3-carboxamide

4-oxo-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-cinnoline-3-carboxamide (PubChem CID 86949531) has the molecular formula C23H17N5O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is 4-oxo-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-cinnoline-3-carboxamide
PubChem CID86949531
Molecular FormulaC23H17N5O3
Molecular Weight411.42 g/mol
Exact Mass411.13
IUPAC Name4-oxo-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-cinnoline-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1n[nH]c2ccccc2c1=O
InChIInChI=1S/C23H17N5O3/c29-21-17-5-1-2-6-18(17)26-27-20(21)22(30)25-16-7-8-19-14(12-16)9-11-28(19)23(31)15-4-3-10-24-13-15/h1-8,10,12-13H,9,11H2,(H,25,30)(H,26,29)
InChIKeyAODGITLFFFATQM-UHFFFAOYSA-N
XLogP2.77
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-indole-2-carboxamide
CID 86963920
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110623445
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 112506085
2-amino-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 119888320
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]pyridine-4-carboxamide
CID 112506253
3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]amino]-1,2-dihydropyrrol-5-one
CID 125431268
4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 112505958
cis-(1R,3S)-2,2-dimethyl-3-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 95391406
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-2-thiomorpholin-3-ylacetamide
CID 119942245
(2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride
CID 120636790
3-(4-methylphenyl)-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110303864
2-cyclopropyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]propanamide
CID 110623614

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-cinnoline-3-carboxamide?
The IUPAC name of 4-oxo-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-cinnoline-3-carboxamide (CID 86949531) is 4-oxo-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-cinnoline-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-cinnoline-3-carboxamide?
The canonical SMILES for 4-oxo-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-cinnoline-3-carboxamide is O=C(Nc1ccc2c(c1)CCN2C(=O)c1cccnc1)c1n[nH]c2ccccc2c1=O.
What is the InChIKey of 4-oxo-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-cinnoline-3-carboxamide?
The InChIKey is AODGITLFFFATQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O3/c29-21-17-5-1-2-6-18(17)26-27-20(21)22(30)25-16-7-8-19-14(12-16)9-11-28(19)23(31)15-4-3-10-24-13-15/h1-8,10,12-13H,9,11H2,(H,25,30)(H,26,29).
What are the key properties of 4-oxo-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-cinnoline-3-carboxamide?
4-oxo-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-cinnoline-3-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-cinnoline-3-carboxamide is sourced from PubChem (CID 86949531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).