N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

C21H22N4O3 — CID 35344149

IUPACN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cccnc1N1CCCC1
InChIInChI=1S/C21H22N4O3/c26-18-9-10-19(27)25(18)14-15-5-7-16(8-6-15)23-21(28)17-4-3-11-22-20(17)24-12-1-2-13-24/h3-8,11H,1-2,9-10,12-14H2,(H,23,28)
InChIKeyHAKPQUGZMHWCCO-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.58
Rot. Bonds5

About N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 35344149) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID35344149
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cccnc1N1CCCC1
InChIInChI=1S/C21H22N4O3/c26-18-9-10-19(27)25(18)14-15-5-7-16(8-6-15)23-21(28)17-4-3-11-22-20(17)24-12-1-2-13-24/h3-8,11H,1-2,9-10,12-14H2,(H,23,28)
InChIKeyHAKPQUGZMHWCCO-UHFFFAOYSA-N
XLogP2.58
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(methylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26785735
N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84575248
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(trifluoromethyl)benzamide
CID 35341141
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 47062568
2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
CID 84576268
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide
CID 51197428
N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119438454
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55743332
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24684483
2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 46484817
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 37162940

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 35344149) is N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cccnc1N1CCCC1.
What is the InChIKey of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is HAKPQUGZMHWCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-18-9-10-19(27)25(18)14-15-5-7-16(8-6-15)23-21(28)17-4-3-11-22-20(17)24-12-1-2-13-24/h3-8,11H,1-2,9-10,12-14H2,(H,23,28).
What are the key properties of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 35344149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).