5-chloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C23H18ClN5O3 — CID 56507678

IUPAC5-chloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C23H18ClN5O3/c24-18-13-25-23(28-10-3-4-11-28)27-19(18)20(30)26-14-6-5-7-15(12-14)29-21(31)16-8-1-2-9-17(16)22(29)32/h1-2,5-9,12-13H,3-4,10-11H2,(H,26,30)
InChIKeyLAFUZSFZXLVTEQ-UHFFFAOYSA-N
MW447.88 g/mol
LogP3.78
Rot. Bonds4

About 5-chloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

5-chloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 56507678) has the molecular formula C23H18ClN5O3 and a molecular weight of 447.88 g/mol. Its IUPAC name is 5-chloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID56507678
Molecular FormulaC23H18ClN5O3
Molecular Weight447.88 g/mol
Exact Mass447.11
IUPAC Name5-chloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C23H18ClN5O3/c24-18-13-25-23(28-10-3-4-11-28)27-19(18)20(30)26-14-6-5-7-15(12-14)29-21(31)16-8-1-2-9-17(16)22(29)32/h1-2,5-9,12-13H,3-4,10-11H2,(H,26,30)
InChIKeyLAFUZSFZXLVTEQ-UHFFFAOYSA-N
XLogP3.78
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.88
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(3-iodophenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55736428
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 56508446
5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 138993580
5-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55776108
5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55772981
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 56506787
5-chloro-N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47038396
5-chloro-N-[2-(3-ethynylanilino)-2-oxoethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55949416
5-chloro-2-pyrrolidin-1-yl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrimidine-4-carboxamide
CID 55773877
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 168518228
5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55777588
2,4-dichloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-fluorobenzamide
CID 56506673

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 56507678) is 5-chloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1nc(N2CCCC2)ncc1Cl.
What is the InChIKey of 5-chloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is LAFUZSFZXLVTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O3/c24-18-13-25-23(28-10-3-4-11-28)27-19(18)20(30)26-14-6-5-7-15(12-14)29-21(31)16-8-1-2-9-17(16)22(29)32/h1-2,5-9,12-13H,3-4,10-11H2,(H,26,30).
What are the key properties of 5-chloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
5-chloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 447.88 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 56507678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).