N-(3,5-dichlorophenyl)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide

C20H18Cl2N4O4 — CID 55614034

IUPACN-(3,5-dichlorophenyl)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H18Cl2N4O4/c1-10-15(16-18(30-10)23-9-25(2)19(16)28)20(29)26-5-3-4-14(26)17(27)24-13-7-11(21)6-12(22)8-13/h6-9,14H,3-5H2,1-2H3,(H,24,27)
InChIKeyUNTFWCNJURWBFP-UHFFFAOYSA-N
MW449.29 g/mol
LogP3.39
Rot. Bonds3

About N-(3,5-dichlorophenyl)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide

N-(3,5-dichlorophenyl)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 55614034) has the molecular formula C20H18Cl2N4O4 and a molecular weight of 449.29 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
PubChem CID55614034
Molecular FormulaC20H18Cl2N4O4
Molecular Weight449.29 g/mol
Exact Mass448.07
IUPAC NameN-(3,5-dichlorophenyl)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H18Cl2N4O4/c1-10-15(16-18(30-10)23-9-25(2)19(16)28)20(29)26-5-3-4-14(26)17(27)24-13-7-11(21)6-12(22)8-13/h6-9,14H,3-5H2,1-2H3,(H,24,27)
InChIKeyUNTFWCNJURWBFP-UHFFFAOYSA-N
XLogP3.39
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide (CID 55614034) is N-(3,5-dichlorophenyl)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide is Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is UNTFWCNJURWBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O4/c1-10-15(16-18(30-10)23-9-25(2)19(16)28)20(29)26-5-3-4-14(26)17(27)24-13-7-11(21)6-12(22)8-13/h6-9,14H,3-5H2,1-2H3,(H,24,27).
What are the key properties of N-(3,5-dichlorophenyl)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide?
N-(3,5-dichlorophenyl)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 449.29 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55614034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).