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

C17H20ClN7O2 — CID 164558557

IUPACN-[5-[(E)-2-amino-1-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide
SMILESCNc1c(N)ncc(O/C(=C/N)c2cnc(N(C)C(=O)C3CC3)cn2)c1Cl
InChIInChI=1S/C17H20ClN7O2/c1-21-15-14(18)12(7-24-16(15)20)27-11(5-19)10-6-23-13(8-22-10)25(2)17(26)9-3-4-9/h5-9,21H,3-4,19H2,1-2H3,(H2,20,24)/b11-5+
InChIKeyGVUDOWOAVFLWKH-VZUCSPMQSA-N
MW389.85 g/mol
LogP1.86
Rot. Bonds6

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

N-[5-[(E)-2-amino-1-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide (PubChem CID 164558557) has the molecular formula C17H20ClN7O2 and a molecular weight of 389.85 g/mol. Its IUPAC name is N-[5-[(E)-2-amino-1-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[(E)-2-amino-1-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide
PubChem CID164558557
Molecular FormulaC17H20ClN7O2
Molecular Weight389.85 g/mol
Exact Mass389.14
IUPAC NameN-[5-[(E)-2-amino-1-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide
SMILESCNc1c(N)ncc(O/C(=C/N)c2cnc(N(C)C(=O)C3CC3)cn2)c1Cl
InChIInChI=1S/C17H20ClN7O2/c1-21-15-14(18)12(7-24-16(15)20)27-11(5-19)10-6-23-13(8-22-10)25(2)17(26)9-3-4-9/h5-9,21H,3-4,19H2,1-2H3,(H2,20,24)/b11-5+
InChIKeyGVUDOWOAVFLWKH-VZUCSPMQSA-N
XLogP1.86
TPSA132.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.85
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-amino-1-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[5-[(E)-2-amino-1-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide (CID 164558557) is N-[5-[(E)-2-amino-1-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[5-[(E)-2-amino-1-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[5-[(E)-2-amino-1-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide is CNc1c(N)ncc(O/C(=C/N)c2cnc(N(C)C(=O)C3CC3)cn2)c1Cl.
What is the InChIKey of N-[5-[(E)-2-amino-1-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide?
The InChIKey is GVUDOWOAVFLWKH-VZUCSPMQSA-N. The full InChI is InChI=1S/C17H20ClN7O2/c1-21-15-14(18)12(7-24-16(15)20)27-11(5-19)10-6-23-13(8-22-10)25(2)17(26)9-3-4-9/h5-9,21H,3-4,19H2,1-2H3,(H2,20,24)/b11-5+.
What are the key properties of N-[5-[(E)-2-amino-1-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide?
N-[5-[(E)-2-amino-1-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide has a molecular weight of 389.85 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-amino-1-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 164558557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).