1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide

C21H27N5O2 — CID 122321142

IUPAC1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCCNc2cc(N3CCCC3)cnn2)CC1
InChIInChI=1S/C21H27N5O2/c1-28-18-7-3-2-6-17(18)21(8-9-21)20(27)23-11-10-22-19-14-16(15-24-25-19)26-12-4-5-13-26/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,22,25)(H,23,27)
InChIKeyPLKICWNUPXZCEI-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.35
Rot. Bonds8

About 1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide

1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide (PubChem CID 122321142) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide
PubChem CID122321142
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCCNc2cc(N3CCCC3)cnn2)CC1
InChIInChI=1S/C21H27N5O2/c1-28-18-7-3-2-6-17(18)21(8-9-21)20(27)23-11-10-22-19-14-16(15-24-25-19)26-12-4-5-13-26/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,22,25)(H,23,27)
InChIKeyPLKICWNUPXZCEI-UHFFFAOYSA-N
XLogP2.35
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxy-3-methylphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321241
1-(3-methoxyphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321061
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 122289576
2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321167
N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide
CID 122321030
1-(2-methoxyphenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]cyclopropane-1-carboxamide
CID 122291065
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321189
N-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide
CID 122321055
1-(2-methoxyphenyl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 122317784
2,4,5-trifluoro-3-methoxy-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122321243
1-(2-methoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)cyclobutane-1-carboxamide
CID 110439047
1-(2,3-dimethylphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321078

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide (CID 122321142) is 1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide is COc1ccccc1C1(C(=O)NCCNc2cc(N3CCCC3)cnn2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide?
The InChIKey is PLKICWNUPXZCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-28-18-7-3-2-6-17(18)21(8-9-21)20(27)23-11-10-22-19-14-16(15-24-25-19)26-12-4-5-13-26/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide?
1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 122321142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).