N-[5-[2-amino-1-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide

C17H18ClN7O4 — CID 164559870

IUPACN-[5-[2-amino-1-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide
SMILESCNc1c([N+](=O)[O-])ncc(OC(=CN)c2cnc(N(C)C(=O)C3CC3)cn2)c1Cl
InChIInChI=1S/C17H18ClN7O4/c1-20-15-14(18)12(7-23-16(15)25(27)28)29-11(5-19)10-6-22-13(8-21-10)24(2)17(26)9-3-4-9/h5-9,20H,3-4,19H2,1-2H3
InChIKeyJEENAETWVCKBQN-UHFFFAOYSA-N
MW419.83 g/mol
LogP2.18
Rot. Bonds7

About N-[5-[2-amino-1-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide

N-[5-[2-amino-1-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide (PubChem CID 164559870) has the molecular formula C17H18ClN7O4 and a molecular weight of 419.83 g/mol. Its IUPAC name is N-[5-[2-amino-1-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-amino-1-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide
PubChem CID164559870
Molecular FormulaC17H18ClN7O4
Molecular Weight419.83 g/mol
Exact Mass419.11
IUPAC NameN-[5-[2-amino-1-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide
SMILESCNc1c([N+](=O)[O-])ncc(OC(=CN)c2cnc(N(C)C(=O)C3CC3)cn2)c1Cl
InChIInChI=1S/C17H18ClN7O4/c1-20-15-14(18)12(7-23-16(15)25(27)28)29-11(5-19)10-6-22-13(8-21-10)24(2)17(26)9-3-4-9/h5-9,20H,3-4,19H2,1-2H3
InChIKeyJEENAETWVCKBQN-UHFFFAOYSA-N
XLogP2.18
TPSA149.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.83
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[5-[2-amino-1-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[(E)-2-amino-1-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide
CID 164558557
N-[5-[2-amino-1-[7-chloro-1-methyl-2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxyethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide
CID 174018739
N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide
CID 164558520
4-(difluoromethyl)-5-(3-iminoprop-1-en-2-yloxy)-N-methyl-2-nitropyridin-3-amine
CID 164560031
N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-N-methylcyclopropanecarboxamide
CID 90020028
N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide
CID 115268285
ethyl 3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carboxylate
CID 134667804
4-hydroxy-N-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 115150798
5-bromo-2-chloro-N-methyl-3-nitropyridin-4-amine
CID 118990099
N-(5-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 126783549
N-[6-(2-amino-1-hydroxyethenyl)-5-fluoro-3-pyridinyl]-N-methylcyclopropanecarboxamide
CID 164559658
N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide
CID 115268661

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-1-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[5-[2-amino-1-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide (CID 164559870) is N-[5-[2-amino-1-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[5-[2-amino-1-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[5-[2-amino-1-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide is CNc1c([N+](=O)[O-])ncc(OC(=CN)c2cnc(N(C)C(=O)C3CC3)cn2)c1Cl.
What is the InChIKey of N-[5-[2-amino-1-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide?
The InChIKey is JEENAETWVCKBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN7O4/c1-20-15-14(18)12(7-23-16(15)25(27)28)29-11(5-19)10-6-22-13(8-21-10)24(2)17(26)9-3-4-9/h5-9,20H,3-4,19H2,1-2H3.
What are the key properties of N-[5-[2-amino-1-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide?
N-[5-[2-amino-1-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide has a molecular weight of 419.83 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-1-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 164559870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).