N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-6-methoxy-2H-pyridine-1-carboxamide

C19H18Cl2FN5O3 — CID 91126262

IUPACN-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-6-methoxy-2H-pyridine-1-carboxamide
SMILESCOC1=CC=CCN1C(=O)Nc1cc(OCCc2c(Cl)ccc(F)c2Cl)c(N)nn1
InChIInChI=1S/C19H18Cl2FN5O3/c1-29-16-4-2-3-8-27(16)19(28)24-15-10-14(18(23)26-25-15)30-9-7-11-12(20)5-6-13(22)17(11)21/h2-6,10H,7-9H2,1H3,(H2,23,26)(H,24,25,28)
InChIKeyCSFSUCGHBRKHKK-UHFFFAOYSA-N
MW454.29 g/mol
LogP4.02
Rot. Bonds6

About N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-6-methoxy-2H-pyridine-1-carboxamide

N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-6-methoxy-2H-pyridine-1-carboxamide (PubChem CID 91126262) has the molecular formula C19H18Cl2FN5O3 and a molecular weight of 454.29 g/mol. Its IUPAC name is N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-6-methoxy-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-6-methoxy-2H-pyridine-1-carboxamide
PubChem CID91126262
Molecular FormulaC19H18Cl2FN5O3
Molecular Weight454.29 g/mol
Exact Mass453.08
IUPAC NameN-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-6-methoxy-2H-pyridine-1-carboxamide
SMILESCOC1=CC=CCN1C(=O)Nc1cc(OCCc2c(Cl)ccc(F)c2Cl)c(N)nn1
InChIInChI=1S/C19H18Cl2FN5O3/c1-29-16-4-2-3-8-27(16)19(28)24-15-10-14(18(23)26-25-15)30-9-7-11-12(20)5-6-13(22)17(11)21/h2-6,10H,7-9H2,1H3,(H2,23,26)(H,24,25,28)
InChIKeyCSFSUCGHBRKHKK-UHFFFAOYSA-N
XLogP4.02
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.29
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide
CID 134261356
4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine
CID 69045854
N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-[4-(morpholine-4-carbonyl)phenyl]formamide
CID 87223068
[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-piperazin-1-ylmethanone
CID 91589682
7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide
CID 175342332
N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(1H-pyrazol-4-yl)formamide
CID 141427487
N-[6-amino-4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-N-(6-methoxy-3-pyridinyl)formamide
CID 121408639
1-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-2-methylbut-3-yn-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 91328440
2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-1-(3-aminopyrrolidin-1-yl)ethanone
CID 91247830
4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol
CID 91405872
N-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-4-benzoyl-2,2-dimethylpiperazine-1-carboxamide
CID 123184420
(3S)-3-[2-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethynyl]pyrrolidin-3-ol
CID 90014738

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-6-methoxy-2H-pyridine-1-carboxamide?
The IUPAC name of N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-6-methoxy-2H-pyridine-1-carboxamide (CID 91126262) is N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-6-methoxy-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-6-methoxy-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-6-methoxy-2H-pyridine-1-carboxamide is COC1=CC=CCN1C(=O)Nc1cc(OCCc2c(Cl)ccc(F)c2Cl)c(N)nn1.
What is the InChIKey of N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-6-methoxy-2H-pyridine-1-carboxamide?
The InChIKey is CSFSUCGHBRKHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2FN5O3/c1-29-16-4-2-3-8-27(16)19(28)24-15-10-14(18(23)26-25-15)30-9-7-11-12(20)5-6-13(22)17(11)21/h2-6,10H,7-9H2,1H3,(H2,23,26)(H,24,25,28).
What are the key properties of N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-6-methoxy-2H-pyridine-1-carboxamide?
N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-6-methoxy-2H-pyridine-1-carboxamide has a molecular weight of 454.29 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]-6-methoxy-2H-pyridine-1-carboxamide is sourced from PubChem (CID 91126262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).