N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide

C25H22N4O4 — CID 108926385

IUPACN-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C25H22N4O4/c30-22(11-5-13-29-24(32)20-9-1-2-10-21(20)25(29)33)27-15-17-6-3-8-19(14-17)28-23(31)18-7-4-12-26-16-18/h1-4,6-10,12,14,16H,5,11,13,15H2,(H,27,30)(H,28,31)
InChIKeyFSSTZKGILAEDNS-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.03
Rot. Bonds8

About N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide

N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108926385) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108926385
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC NameN-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C25H22N4O4/c30-22(11-5-13-29-24(32)20-9-1-2-10-21(20)25(29)33)27-15-17-6-3-8-19(14-17)28-23(31)18-7-4-12-26-16-18/h1-4,6-10,12,14,16H,5,11,13,15H2,(H,27,30)(H,28,31)
InChIKeyFSSTZKGILAEDNS-UHFFFAOYSA-N
XLogP3.03
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926388
4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544
N-[(3-acetamidophenyl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 46477960
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397
N-[3-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]pyridine-3-carboxamide
CID 108925199
N-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926492
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[[4-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925634
[3-[[4-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928355
N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926458
1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide
CID 108926281

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide (CID 108926385) is N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide is O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is FSSTZKGILAEDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c30-22(11-5-13-29-24(32)20-9-1-2-10-21(20)25(29)33)27-15-17-6-3-8-19(14-17)28-23(31)18-7-4-12-26-16-18/h1-4,6-10,12,14,16H,5,11,13,15H2,(H,27,30)(H,28,31).
What are the key properties of N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide?
N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).