N-[4-[(3-oxo-1H-isoindol-2-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide

C24H22N4O2 — CID 155548427

IUPACN-[4-[(3-oxo-1H-isoindol-2-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
SMILESO=C(Nc1ccc(CN2Cc3ccccc3C2=O)cc1)N1CC(c2cccnc2)C1
InChIInChI=1S/C24H22N4O2/c29-23-22-6-2-1-4-19(22)14-27(23)13-17-7-9-21(10-8-17)26-24(30)28-15-20(16-28)18-5-3-11-25-12-18/h1-12,20H,13-16H2,(H,26,30)
InChIKeyPMSFDSIYBLGVAL-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.87
Rot. Bonds4

About N-[4-[(3-oxo-1H-isoindol-2-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide

N-[4-[(3-oxo-1H-isoindol-2-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide (PubChem CID 155548427) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[4-[(3-oxo-1H-isoindol-2-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-oxo-1H-isoindol-2-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
PubChem CID155548427
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[4-[(3-oxo-1H-isoindol-2-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
SMILESO=C(Nc1ccc(CN2Cc3ccccc3C2=O)cc1)N1CC(c2cccnc2)C1
InChIInChI=1S/C24H22N4O2/c29-23-22-6-2-1-4-19(22)14-27(23)13-17-7-9-21(10-8-17)26-24(30)28-15-20(16-28)18-5-3-11-25-12-18/h1-12,20H,13-16H2,(H,26,30)
InChIKeyPMSFDSIYBLGVAL-UHFFFAOYSA-N
XLogP3.87
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
CID 134814226
N-[7-(4-{[(3-methylphenyl)carbamoyl]amino}phenyl)-3-oxo-2,3-dihydro-1H-isoindol-4-yl]pyridine-3-carboxamide
CID 5329912
(R)-5-((6-fluoro-1-oxoisoindolin-2-yl)methyl)-5-(4-(pyridin-3-yl)phenyl)imidazolidine-2,4-dione
CID 49865166
2-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylamino)-3H-isoindol-1-one
CID 5307944
N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-N'-[(pyridin-3-yl)methyl]urea
CID 134814219
4-[(piperazin-1-yl)methyl]-N-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide
CID 134817504
N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide
CID 145704651
3-(2-Methyl-1-oxo-1,2-dihydroisoquinolin-4-YL)-1-[(pyridin-2-YL)methyl]urea
CID 20910140
3-[2-(2-Methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]-1-(pyridin-3-YL)urea
CID 20924480
N-[4-(1-isobutyrylpiperidin-4-yl)phenyl]-1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510249
1-(2-Methyl-benzoyl)-3-(4-pyridin-4-ylmethyl-phenyl)-thiourea
CID 1139481
2-cyclohexyl-3-oxo-N-(pyridin-3-ylmethyl)isoindoline-4-carboxamide
CID 3236714

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-oxo-1H-isoindol-2-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The IUPAC name of N-[4-[(3-oxo-1H-isoindol-2-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide (CID 155548427) is N-[4-[(3-oxo-1H-isoindol-2-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide.
What is the SMILES notation for N-[4-[(3-oxo-1H-isoindol-2-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The canonical SMILES for N-[4-[(3-oxo-1H-isoindol-2-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide is O=C(Nc1ccc(CN2Cc3ccccc3C2=O)cc1)N1CC(c2cccnc2)C1.
What is the InChIKey of N-[4-[(3-oxo-1H-isoindol-2-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
The InChIKey is PMSFDSIYBLGVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-23-22-6-2-1-4-19(22)14-27(23)13-17-7-9-21(10-8-17)26-24(30)28-15-20(16-28)18-5-3-11-25-12-18/h1-12,20H,13-16H2,(H,26,30).
What are the key properties of N-[4-[(3-oxo-1H-isoindol-2-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide?
N-[4-[(3-oxo-1H-isoindol-2-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-oxo-1H-isoindol-2-yl)methyl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide is sourced from PubChem (CID 155548427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).