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

C18H19ClN6O2 — CID 55776108

IUPAC5-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCNC2=O)cc1)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C18H19ClN6O2/c19-14-11-21-17(24-8-1-2-9-24)23-15(14)16(26)22-12-3-5-13(6-4-12)25-10-7-20-18(25)27/h3-6,11H,1-2,7-10H2,(H,20,27)(H,22,26)
InChIKeyBPPDLFUPJLTAMT-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.51
Rot. Bonds4

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

5-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 55776108) has the molecular formula C18H19ClN6O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 5-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID55776108
Molecular FormulaC18H19ClN6O2
Molecular Weight386.84 g/mol
Exact Mass386.13
IUPAC Name5-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCNC2=O)cc1)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C18H19ClN6O2/c19-14-11-21-17(24-8-1-2-9-24)23-15(14)16(26)22-12-3-5-13(6-4-12)25-10-7-20-18(25)27/h3-6,11H,1-2,7-10H2,(H,20,27)(H,22,26)
InChIKeyBPPDLFUPJLTAMT-UHFFFAOYSA-N
XLogP2.51
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55772981
5-chloro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47047182
5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 52545770
5-chloro-N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47038396
5-chloro-N-(3-iodophenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55736428
5-chloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 56507678
2,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 86846798
2-chloro-6-fluoro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51300305
4-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51299854
5-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]thiophene-2-carboxamide
CID 60707242
5-chloro-2-pyrrolidin-1-yl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrimidine-4-carboxamide
CID 55773877
5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55777588

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 55776108) is 5-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is O=C(Nc1ccc(N2CCNC2=O)cc1)c1nc(N2CCCC2)ncc1Cl.
What is the InChIKey of 5-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is BPPDLFUPJLTAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2/c19-14-11-21-17(24-8-1-2-9-24)23-15(14)16(26)22-12-3-5-13(6-4-12)25-10-7-20-18(25)27/h3-6,11H,1-2,7-10H2,(H,20,27)(H,22,26).
What are the key properties of 5-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
5-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 55776108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).