(1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide

C22H19ClFN5O4 — CID 143223783

IUPAC(1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
SMILESNC(=O)C1C[C@H]1C(=O)Nc1ccc(Cl)cn1.O=CNc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C12H9FN2O2.C10H10ClN3O2/c13-10-7-9(4-5-11(10)14-8-16)15-6-2-1-3-12(15)17;11-5-1-2-8(13-4-5)14-10(16)7-3-6(7)9(12)15/h1-8H,(H,14,16);1-2,4,6-7H,3H2,(H2,12,15)(H,13,14,16)/t;6?,7-/m.1/s1
InChIKeyOENQZLXVDFLQMK-GLVYENHBSA-N
MW471.88 g/mol
LogP2.34
Rot. Bonds6

About (1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide

(1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide (PubChem CID 143223783) has the molecular formula C22H19ClFN5O4 and a molecular weight of 471.88 g/mol. Its IUPAC name is (1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide.

Molecular Properties

Compound Name(1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
PubChem CID143223783
Molecular FormulaC22H19ClFN5O4
Molecular Weight471.88 g/mol
Exact Mass471.11
IUPAC Name(1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
SMILESNC(=O)C1C[C@H]1C(=O)Nc1ccc(Cl)cn1.O=CNc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C12H9FN2O2.C10H10ClN3O2/c13-10-7-9(4-5-11(10)14-8-16)15-6-2-1-3-12(15)17;11-5-1-2-8(13-4-5)14-10(16)7-3-6(7)9(12)15/h1-8H,(H,14,16);1-2,4,6-7H,3H2,(H2,12,15)(H,13,14,16)/t;6?,7-/m.1/s1
InChIKeyOENQZLXVDFLQMK-GLVYENHBSA-N
XLogP2.34
TPSA136.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.88
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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
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
N-(4-chlorophenyl)formamide;cyclopropanecarboxylic acid;ethane;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223777
ethyl 1-[(5-chloro-2-pyridinyl)carbamoyl]-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
CID 142689547
(1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide
CID 11677142
1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 66881556
N-(4-chlorophenyl)formamide;cyclopropanecarboxamide;1-[3-fluoro-4-(hydroxymethylamino)phenyl]pyridin-2-one
CID 143223901
2-N-(5-chloro-2-pyridinyl)-1-methyl-1-N-[2-methyl-4-(2-oxo-1-pyridinyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 66882749
N-(4-chlorophenyl)formamide;ethyl cyclopropanecarboxylate;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide
CID 143223895
(1S,3S,4S)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-methoxycyclopentane-1,3-dicarboxamide
CID 68686788
2-N-(5-chloro-2-pyridinyl)-1-N-[2-fluoro-4-(2-oxopyrazin-1-yl)phenyl]-1,3-dihydroisoindole-1,2-dicarboxamide
CID 58878306
(4S)-1-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-4-methylpyrrolidine-2-carboxamide
CID 173100301

Frequently Asked Questions

What is the IUPAC name of (1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide?
The IUPAC name of (1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide (CID 143223783) is (1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide.
What is the SMILES notation for (1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide?
The canonical SMILES for (1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide is NC(=O)C1C[C@H]1C(=O)Nc1ccc(Cl)cn1.O=CNc1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of (1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide?
The InChIKey is OENQZLXVDFLQMK-GLVYENHBSA-N. The full InChI is InChI=1S/C12H9FN2O2.C10H10ClN3O2/c13-10-7-9(4-5-11(10)14-8-16)15-6-2-1-3-12(15)17;11-5-1-2-8(13-4-5)14-10(16)7-3-6(7)9(12)15/h1-8H,(H,14,16);1-2,4,6-7H,3H2,(H2,12,15)(H,13,14,16)/t;6?,7-/m.1/s1.
What are the key properties of (1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide?
(1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide has a molecular weight of 471.88 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-N-(5-chloro-2-pyridinyl)cyclopropane-1,2-dicarboxamide;N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]formamide is sourced from PubChem (CID 143223783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).