1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide

C20H18ClFN4O4 — CID 66881556

IUPAC1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CC1C(=O)Nc1ccc(N2CCOCC2=O)cc1F
InChIInChI=1S/C20H18ClFN4O4/c21-11-1-4-17(23-9-11)25-20(29)14-8-13(14)19(28)24-16-3-2-12(7-15(16)22)26-5-6-30-10-18(26)27/h1-4,7,9,13-14H,5-6,8,10H2,(H,24,28)(H,23,25,29)
InChIKeyIRUDMKKVQZKMJJ-UHFFFAOYSA-N
MW432.84 g/mol
LogP2.45
Rot. Bonds5

About 1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide

1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 66881556) has the molecular formula C20H18ClFN4O4 and a molecular weight of 432.84 g/mol. Its IUPAC name is 1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID66881556
Molecular FormulaC20H18ClFN4O4
Molecular Weight432.84 g/mol
Exact Mass432.10
IUPAC Name1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CC1C(=O)Nc1ccc(N2CCOCC2=O)cc1F
InChIInChI=1S/C20H18ClFN4O4/c21-11-1-4-17(23-9-11)25-20(29)14-8-13(14)19(28)24-16-3-2-12(7-15(16)22)26-5-6-30-10-18(26)27/h1-4,7,9,13-14H,5-6,8,10H2,(H,24,28)(H,23,25,29)
InChIKeyIRUDMKKVQZKMJJ-UHFFFAOYSA-N
XLogP2.45
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.84
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]carbamic acid
CID 91539862
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 72812814
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 11352019
1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 11202026
2-N-(4-chlorophenyl)-1-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]pyrazolidine-1,2-dicarboxamide
CID 11453998
1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(2-oxopiperidin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 21026109
(1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223783
(3R,4R)-3-N-(5-chloro-2-pyridinyl)-4-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3,4-dicarboxamide
CID 11226460
(2R,4R)-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-4-hydroxy-1-[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]pyrrolidine-2-carboxamide
CID 66593589
N-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459090
trans-(1R,2S)-2-N-(5-chloro-2-pyridinyl)-1-cyano-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 11698135
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-methylpyrrolidine-1,2-dicarboxamide
CID 58619664

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide (CID 66881556) is 1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide is O=C(Nc1ccc(Cl)cn1)C1CC1C(=O)Nc1ccc(N2CCOCC2=O)cc1F.
What is the InChIKey of 1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is IRUDMKKVQZKMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O4/c21-11-1-4-17(23-9-11)25-20(29)14-8-13(14)19(28)24-16-3-2-12(7-15(16)22)26-5-6-30-10-18(26)27/h1-4,7,9,13-14H,5-6,8,10H2,(H,24,28)(H,23,25,29).
What are the key properties of 1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide?
1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 432.84 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 66881556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).