N-[6-amino-4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(6-methoxy-3-pyridinyl)formamide

C19H16Cl2FN5O3 — CID 121408639

IUPACN-[6-amino-4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(6-methoxy-3-pyridinyl)formamide
SMILESCOc1ccc(N(C=O)c2nnc(N)cc2OCCc2c(Cl)ccc(F)c2Cl)cn1
InChIInChI=1S/C19H16Cl2FN5O3/c1-29-17-5-2-11(9-24-17)27(10-28)19-15(8-16(23)25-26-19)30-7-6-12-13(20)3-4-14(22)18(12)21/h2-5,8-10H,6-7H2,1H3,(H2,23,25)
InChIKeyDLUZCNQNYUIBFZ-UHFFFAOYSA-N
MW452.27 g/mol
LogP3.82
Rot. Bonds8

About N-[6-amino-4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(6-methoxy-3-pyridinyl)formamide

N-[6-amino-4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(6-methoxy-3-pyridinyl)formamide (PubChem CID 121408639) has the molecular formula C19H16Cl2FN5O3 and a molecular weight of 452.27 g/mol. Its IUPAC name is N-[6-amino-4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(6-methoxy-3-pyridinyl)formamide.

Molecular Properties

Compound NameN-[6-amino-4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(6-methoxy-3-pyridinyl)formamide
PubChem CID121408639
Molecular FormulaC19H16Cl2FN5O3
Molecular Weight452.27 g/mol
Exact Mass451.06
IUPAC NameN-[6-amino-4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(6-methoxy-3-pyridinyl)formamide
SMILESCOc1ccc(N(C=O)c2nnc(N)cc2OCCc2c(Cl)ccc(F)c2Cl)cn1
InChIInChI=1S/C19H16Cl2FN5O3/c1-29-17-5-2-11(9-24-17)27(10-28)19-15(8-16(23)25-26-19)30-7-6-12-13(20)3-4-14(22)18(12)21/h2-5,8-10H,6-7H2,1H3,(H2,23,25)
InChIKeyDLUZCNQNYUIBFZ-UHFFFAOYSA-N
XLogP3.82
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(6-methoxy-3-pyridinyl)formamide?
The IUPAC name of N-[6-amino-4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(6-methoxy-3-pyridinyl)formamide (CID 121408639) is N-[6-amino-4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(6-methoxy-3-pyridinyl)formamide.
What is the SMILES notation for N-[6-amino-4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(6-methoxy-3-pyridinyl)formamide?
The canonical SMILES for N-[6-amino-4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(6-methoxy-3-pyridinyl)formamide is COc1ccc(N(C=O)c2nnc(N)cc2OCCc2c(Cl)ccc(F)c2Cl)cn1.
What is the InChIKey of N-[6-amino-4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(6-methoxy-3-pyridinyl)formamide?
The InChIKey is DLUZCNQNYUIBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FN5O3/c1-29-17-5-2-11(9-24-17)27(10-28)19-15(8-16(23)25-26-19)30-7-6-12-13(20)3-4-14(22)18(12)21/h2-5,8-10H,6-7H2,1H3,(H2,23,25).
What are the key properties of N-[6-amino-4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(6-methoxy-3-pyridinyl)formamide?
N-[6-amino-4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(6-methoxy-3-pyridinyl)formamide has a molecular weight of 452.27 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(6-methoxy-3-pyridinyl)formamide is sourced from PubChem (CID 121408639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).