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

C23H18N4O4 — CID 108925920

IUPACN-[2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C23H18N4O4/c28-20(14-27-22(30)17-8-2-3-9-18(17)23(27)31)25-13-15-6-1-4-10-19(15)26-21(29)16-7-5-11-24-12-16/h1-12H,13-14H2,(H,25,28)(H,26,29)
InChIKeyWSNXPESZRWMQBQ-UHFFFAOYSA-N
MW414.42 g/mol
LogP2.25
Rot. Bonds6

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

N-[2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108925920) has the molecular formula C23H18N4O4 and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108925920
Molecular FormulaC23H18N4O4
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC NameN-[2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C23H18N4O4/c28-20(14-27-22(30)17-8-2-3-9-18(17)23(27)31)25-13-15-6-1-4-10-19(15)26-21(29)16-7-5-11-24-12-16/h1-12H,13-14H2,(H,25,28)(H,26,29)
InChIKeyWSNXPESZRWMQBQ-UHFFFAOYSA-N
XLogP2.25
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 52.25
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-[2-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108925906
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926036
N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925922
N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926070
N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926106
N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925872
N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926146
N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925899
N-[[2-[[2-(2-fluorophenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926099

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide (CID 108925920) is N-[2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide is O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is WSNXPESZRWMQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4/c28-20(14-27-22(30)17-8-2-3-9-18(17)23(27)31)25-13-15-6-1-4-10-19(15)26-21(29)16-7-5-11-24-12-16/h1-12H,13-14H2,(H,25,28)(H,26,29).
What are the key properties of N-[2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
N-[2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 414.42 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).