4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide

C27H28N4O2 — CID 166025737

IUPAC4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
SMILESCc1ccc(Oc2cccc(C=C3CCN(C(=O)NC4CC4c4ccccc4)CC3)c2)nn1
InChIInChI=1S/C27H28N4O2/c1-19-10-11-26(30-29-19)33-23-9-5-6-21(17-23)16-20-12-14-31(15-13-20)27(32)28-25-18-24(25)22-7-3-2-4-8-22/h2-11,16-17,24-25H,12-15,18H2,1H3,(H,28,32)
InChIKeyJFWDIEUHSLCIAZ-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.32
Rot. Bonds5

About 4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide

4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide (PubChem CID 166025737) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
PubChem CID166025737
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
SMILESCc1ccc(Oc2cccc(C=C3CCN(C(=O)NC4CC4c4ccccc4)CC3)c2)nn1
InChIInChI=1S/C27H28N4O2/c1-19-10-11-26(30-29-19)33-23-9-5-6-21(17-23)16-20-12-14-31(15-13-20)27(32)28-25-18-24(25)22-7-3-2-4-8-22/h2-11,16-17,24-25H,12-15,18H2,1H3,(H,28,32)
InChIKeyJFWDIEUHSLCIAZ-UHFFFAOYSA-N
XLogP5.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
CID 167660103
6-[3-[[1-[[(2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylic acid
CID 166076341
N-[(1S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
CID 166076245
N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
CID 166076330
5-methyl-2-[3-(piperidin-4-ylidenemethyl)phenoxy]pyridine;4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;phenyl N-[(1R,2S)-2-phenylcyclopropyl]carbamate
CID 167665991
carbon dioxide;methyl 6-[3-[[1-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]piperidin-4-ylidene]methyl]phenoxy]pyridine-3-carboxylate;N-[(1R,2S)-2-phenylcyclopropyl]-4-[(3-pyridin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide
CID 167616777
benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane
CID 166076258
N-cyclopropyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;ethene
CID 171499902
4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 166076228
4-methyl-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 60586425
3-(6-methylpyridazin-3-yl)oxybenzoic acid
CID 61395653
tert-butyl 4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxylate
CID 68948434

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The IUPAC name of 4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide (CID 166025737) is 4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide is Cc1ccc(Oc2cccc(C=C3CCN(C(=O)NC4CC4c4ccccc4)CC3)c2)nn1.
What is the InChIKey of 4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
The InChIKey is JFWDIEUHSLCIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-19-10-11-26(30-29-19)33-23-9-5-6-21(17-23)16-20-12-14-31(15-13-20)27(32)28-25-18-24(25)22-7-3-2-4-8-22/h2-11,16-17,24-25H,12-15,18H2,1H3,(H,28,32).
What are the key properties of 4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide?
4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide is sourced from PubChem (CID 166025737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).