N-[8-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide

C21H23N5O2 — CID 178122384

IUPACN-[8-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCCN(Cc1ccc(OC)cc1)c1nccc2cc(NC(=O)C3CC3)nnc12
InChIInChI=1S/C21H23N5O2/c1-3-26(13-14-4-8-17(28-2)9-5-14)20-19-16(10-11-22-20)12-18(24-25-19)23-21(27)15-6-7-15/h4-5,8-12,15H,3,6-7,13H2,1-2H3,(H,23,24,27)
InChIKeyOURIRZQWJPXNNU-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.41
Rot. Bonds7

About N-[8-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide

N-[8-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 178122384) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[8-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID178122384
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[8-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCCN(Cc1ccc(OC)cc1)c1nccc2cc(NC(=O)C3CC3)nnc12
InChIInChI=1S/C21H23N5O2/c1-3-26(13-14-4-8-17(28-2)9-5-14)20-19-16(10-11-22-20)12-18(24-25-19)23-21(27)15-6-7-15/h4-5,8-12,15H,3,6-7,13H2,1-2H3,(H,23,24,27)
InChIKeyOURIRZQWJPXNNU-UHFFFAOYSA-N
XLogP3.41
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[8-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[8-[(4-methoxyphenyl)methyl-methylamino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 178122398
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041743
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042762
N-[5-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 177360111
N-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 178122855
ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate
CID 110180031
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
N-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55742102
3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea
CID 87013249
2-[ethyl-(7-methoxyisoquinolin-1-yl)amino]acetic acid
CID 106536025
2-(cyclopropylamino)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 54872668
2-[benzyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306437

Frequently Asked Questions

What is the IUPAC name of N-[8-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide (CID 178122384) is N-[8-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide is CCN(Cc1ccc(OC)cc1)c1nccc2cc(NC(=O)C3CC3)nnc12.
What is the InChIKey of N-[8-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is OURIRZQWJPXNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-3-26(13-14-4-8-17(28-2)9-5-14)20-19-16(10-11-22-20)12-18(24-25-19)23-21(27)15-6-7-15/h4-5,8-12,15H,3,6-7,13H2,1-2H3,(H,23,24,27).
What are the key properties of N-[8-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
N-[8-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 178122384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).