5-N-(5-chloro-2-pyridinyl)-1-[4-(2-hydroxyimino-1,3-oxazolidin-3-yl)phenyl]-2H-pyrazine-5,6-dicarboxamide

C20H18ClN7O4 — CID 91241908

IUPAC5-N-(5-chloro-2-pyridinyl)-1-[4-(2-hydroxyimino-1,3-oxazolidin-3-yl)phenyl]-2H-pyrazine-5,6-dicarboxamide
SMILESNC(=O)C1=C(C(=O)Nc2ccc(Cl)cn2)N=CCN1c1ccc(N2CCOC2=NO)cc1
InChIInChI=1S/C20H18ClN7O4/c21-12-1-6-15(24-11-12)25-19(30)16-17(18(22)29)27(8-7-23-16)13-2-4-14(5-3-13)28-9-10-32-20(28)26-31/h1-7,11,31H,8-10H2,(H2,22,29)(H,24,25,30)
InChIKeyLTJFRVIPZLREKN-UHFFFAOYSA-N
MW455.86 g/mol
LogP1.54
Rot. Bonds5

About 5-N-(5-chloro-2-pyridinyl)-1-[4-(2-hydroxyimino-1,3-oxazolidin-3-yl)phenyl]-2H-pyrazine-5,6-dicarboxamide

5-N-(5-chloro-2-pyridinyl)-1-[4-(2-hydroxyimino-1,3-oxazolidin-3-yl)phenyl]-2H-pyrazine-5,6-dicarboxamide (PubChem CID 91241908) has the molecular formula C20H18ClN7O4 and a molecular weight of 455.86 g/mol. Its IUPAC name is 5-N-(5-chloro-2-pyridinyl)-1-[4-(2-hydroxyimino-1,3-oxazolidin-3-yl)phenyl]-2H-pyrazine-5,6-dicarboxamide.

Molecular Properties

Compound Name5-N-(5-chloro-2-pyridinyl)-1-[4-(2-hydroxyimino-1,3-oxazolidin-3-yl)phenyl]-2H-pyrazine-5,6-dicarboxamide
PubChem CID91241908
Molecular FormulaC20H18ClN7O4
Molecular Weight455.86 g/mol
Exact Mass455.11
IUPAC Name5-N-(5-chloro-2-pyridinyl)-1-[4-(2-hydroxyimino-1,3-oxazolidin-3-yl)phenyl]-2H-pyrazine-5,6-dicarboxamide
SMILESNC(=O)C1=C(C(=O)Nc2ccc(Cl)cn2)N=CCN1c1ccc(N2CCOC2=NO)cc1
InChIInChI=1S/C20H18ClN7O4/c21-12-1-6-15(24-11-12)25-19(30)16-17(18(22)29)27(8-7-23-16)13-2-4-14(5-3-13)28-9-10-32-20(28)26-31/h1-7,11,31H,8-10H2,(H2,22,29)(H,24,25,30)
InChIKeyLTJFRVIPZLREKN-UHFFFAOYSA-N
XLogP1.54
TPSA145.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.86
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 131737247
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
3-amino-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 61094139
4-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-4,5-dicarboxamide
CID 70069811
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 708628
5-N-(5-chloro-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55571841
4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 3136981
N'-(5-chloro-2-pyridinyl)oxamide;hydrochloride
CID 22934756
2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide
CID 144725411
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
N-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51250658
2-N,6-N-bis(5-chloro-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 3421113

Frequently Asked Questions

What is the IUPAC name of 5-N-(5-chloro-2-pyridinyl)-1-[4-(2-hydroxyimino-1,3-oxazolidin-3-yl)phenyl]-2H-pyrazine-5,6-dicarboxamide?
The IUPAC name of 5-N-(5-chloro-2-pyridinyl)-1-[4-(2-hydroxyimino-1,3-oxazolidin-3-yl)phenyl]-2H-pyrazine-5,6-dicarboxamide (CID 91241908) is 5-N-(5-chloro-2-pyridinyl)-1-[4-(2-hydroxyimino-1,3-oxazolidin-3-yl)phenyl]-2H-pyrazine-5,6-dicarboxamide.
What is the SMILES notation for 5-N-(5-chloro-2-pyridinyl)-1-[4-(2-hydroxyimino-1,3-oxazolidin-3-yl)phenyl]-2H-pyrazine-5,6-dicarboxamide?
The canonical SMILES for 5-N-(5-chloro-2-pyridinyl)-1-[4-(2-hydroxyimino-1,3-oxazolidin-3-yl)phenyl]-2H-pyrazine-5,6-dicarboxamide is NC(=O)C1=C(C(=O)Nc2ccc(Cl)cn2)N=CCN1c1ccc(N2CCOC2=NO)cc1.
What is the InChIKey of 5-N-(5-chloro-2-pyridinyl)-1-[4-(2-hydroxyimino-1,3-oxazolidin-3-yl)phenyl]-2H-pyrazine-5,6-dicarboxamide?
The InChIKey is LTJFRVIPZLREKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN7O4/c21-12-1-6-15(24-11-12)25-19(30)16-17(18(22)29)27(8-7-23-16)13-2-4-14(5-3-13)28-9-10-32-20(28)26-31/h1-7,11,31H,8-10H2,(H2,22,29)(H,24,25,30).
What are the key properties of 5-N-(5-chloro-2-pyridinyl)-1-[4-(2-hydroxyimino-1,3-oxazolidin-3-yl)phenyl]-2H-pyrazine-5,6-dicarboxamide?
5-N-(5-chloro-2-pyridinyl)-1-[4-(2-hydroxyimino-1,3-oxazolidin-3-yl)phenyl]-2H-pyrazine-5,6-dicarboxamide has a molecular weight of 455.86 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-chloro-2-pyridinyl)-1-[4-(2-hydroxyimino-1,3-oxazolidin-3-yl)phenyl]-2H-pyrazine-5,6-dicarboxamide is sourced from PubChem (CID 91241908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).