3-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-formyl-2-oxo-1H-pyridin-4-yl)phenyl]pyrazine-2,3-dicarboxamide

C23H14ClFN6O4 — CID 87799735

IUPAC3-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-formyl-2-oxo-1H-pyridin-4-yl)phenyl]pyrazine-2,3-dicarboxamide
SMILESO=Cc1c(-c2ccc(NC(=O)c3nccnc3C(=O)Nc3ccc(Cl)cn3)c(F)c2)cc[nH]c1=O
InChIInChI=1S/C23H14ClFN6O4/c24-13-2-4-18(29-10-13)31-23(35)20-19(26-7-8-27-20)22(34)30-17-3-1-12(9-16(17)25)14-5-6-28-21(33)15(14)11-32/h1-11H,(H,28,33)(H,30,34)(H,29,31,35)
InChIKeyLIMVVEWGNBOLGH-UHFFFAOYSA-N
MW492.85 g/mol
LogP3.34
Rot. Bonds6

About 3-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-formyl-2-oxo-1H-pyridin-4-yl)phenyl]pyrazine-2,3-dicarboxamide

3-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-formyl-2-oxo-1H-pyridin-4-yl)phenyl]pyrazine-2,3-dicarboxamide (PubChem CID 87799735) has the molecular formula C23H14ClFN6O4 and a molecular weight of 492.85 g/mol. Its IUPAC name is 3-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-formyl-2-oxo-1H-pyridin-4-yl)phenyl]pyrazine-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-formyl-2-oxo-1H-pyridin-4-yl)phenyl]pyrazine-2,3-dicarboxamide
PubChem CID87799735
Molecular FormulaC23H14ClFN6O4
Molecular Weight492.85 g/mol
Exact Mass492.07
IUPAC Name3-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-formyl-2-oxo-1H-pyridin-4-yl)phenyl]pyrazine-2,3-dicarboxamide
SMILESO=Cc1c(-c2ccc(NC(=O)c3nccnc3C(=O)Nc3ccc(Cl)cn3)c(F)c2)cc[nH]c1=O
InChIInChI=1S/C23H14ClFN6O4/c24-13-2-4-18(29-10-13)31-23(35)20-19(26-7-8-27-20)22(34)30-17-3-1-12(9-16(17)25)14-5-6-28-21(33)15(14)11-32/h1-11H,(H,28,33)(H,30,34)(H,29,31,35)
InChIKeyLIMVVEWGNBOLGH-UHFFFAOYSA-N
XLogP3.34
TPSA146.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.85
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(3,4-difluorophenyl)phenyl]pyrazine-2-carboxamide
CID 126755030
5-chloro-N-(5-chloro-2-pyridinyl)-2-hydrazinylbenzamide
CID 55051225
3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide
CID 59799292
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide
CID 21072666
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
N-(5-chloro-2-pyridinyl)-3-[(4-methylsulfanyl-2-piperidin-4-yloxybenzoyl)amino]pyridine-2-carboxamide
CID 11620252
N-(4-chloro-2-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762635
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide
CID 18727958
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-formyl-2-oxo-1H-pyridin-4-yl)phenyl]pyrazine-2,3-dicarboxamide?
The IUPAC name of 3-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-formyl-2-oxo-1H-pyridin-4-yl)phenyl]pyrazine-2,3-dicarboxamide (CID 87799735) is 3-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-formyl-2-oxo-1H-pyridin-4-yl)phenyl]pyrazine-2,3-dicarboxamide.
What is the SMILES notation for 3-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-formyl-2-oxo-1H-pyridin-4-yl)phenyl]pyrazine-2,3-dicarboxamide?
The canonical SMILES for 3-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-formyl-2-oxo-1H-pyridin-4-yl)phenyl]pyrazine-2,3-dicarboxamide is O=Cc1c(-c2ccc(NC(=O)c3nccnc3C(=O)Nc3ccc(Cl)cn3)c(F)c2)cc[nH]c1=O.
What is the InChIKey of 3-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-formyl-2-oxo-1H-pyridin-4-yl)phenyl]pyrazine-2,3-dicarboxamide?
The InChIKey is LIMVVEWGNBOLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClFN6O4/c24-13-2-4-18(29-10-13)31-23(35)20-19(26-7-8-27-20)22(34)30-17-3-1-12(9-16(17)25)14-5-6-28-21(33)15(14)11-32/h1-11H,(H,28,33)(H,30,34)(H,29,31,35).
What are the key properties of 3-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-formyl-2-oxo-1H-pyridin-4-yl)phenyl]pyrazine-2,3-dicarboxamide?
3-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-formyl-2-oxo-1H-pyridin-4-yl)phenyl]pyrazine-2,3-dicarboxamide has a molecular weight of 492.85 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-(3-formyl-2-oxo-1H-pyridin-4-yl)phenyl]pyrazine-2,3-dicarboxamide is sourced from PubChem (CID 87799735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).