4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyridazin-3-one

C22H25N5O2 — CID 86271613

IUPAC4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyridazin-3-one
SMILESCc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nn(C)c2=O)c(C)n1
InChIInChI=1S/C22H25N5O2/c1-14-7-8-16(15(2)25-14)12-24-20-11-21(26-27(3)22(20)28)29-13-17-10-18(17)19-6-4-5-9-23-19/h4-9,11,17-18,24H,10,12-13H2,1-3H3/t17-,18+/m1/s1
InChIKeyYLUIXFKMHUSCIE-MSOLQXFVSA-N
MW391.48 g/mol
LogP2.98
Rot. Bonds7

About 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyridazin-3-one

4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyridazin-3-one (PubChem CID 86271613) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyridazin-3-one.

Molecular Properties

Compound Name4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyridazin-3-one
PubChem CID86271613
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyridazin-3-one
SMILESCc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nn(C)c2=O)c(C)n1
InChIInChI=1S/C22H25N5O2/c1-14-7-8-16(15(2)25-14)12-24-20-11-21(26-27(3)22(20)28)29-13-17-10-18(17)19-6-4-5-9-23-19/h4-9,11,17-18,24H,10,12-13H2,1-3H3/t17-,18+/m1/s1
InChIKeyYLUIXFKMHUSCIE-MSOLQXFVSA-N
XLogP2.98
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-(pyridin-3-ylmethylamino)pyridazin-3-one
CID 86270493
2-methyl-4-[(2-methylpyrazol-3-yl)methylamino]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one
CID 86270858
4-[(4-methoxyphenyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one
CID 86270952
4-[(2,6-dimethyl-3-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one
CID 86271523
4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(1-methylpyrazol-3-yl)cyclopropyl]methoxy]pyridazin-3-one
CID 86271609
4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyridazin-3-one
CID 86271610
4-[(2,6-dimethyl-3-pyridinyl)methylamino]-6-[[(1S,2S)-2-(5-fluoro-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyridazin-3-one
CID 86271611
6-[[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one
CID 86271612
4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyridazin-3-one
CID 86271703
6-[[(1S,2S)-2-[5-(difluoromethoxy)pyridin-2-yl]cyclopropyl]methoxy]-4-[(2,6-dimethylpyridin-3-yl)methylamino]-2-methylpyridazin-3-one
CID 86271704
6-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-4-[(2-methyl-4-pyridinyl)methylamino]pyridazin-3-one
CID 86271708
6-[[(1S,2S)-2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)cyclopropyl]methoxy]-4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methylpyridazin-3-one
CID 86271791

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyridazin-3-one?
The IUPAC name of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyridazin-3-one (CID 86271613) is 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyridazin-3-one.
What is the SMILES notation for 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyridazin-3-one?
The canonical SMILES for 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyridazin-3-one is Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nn(C)c2=O)c(C)n1.
What is the InChIKey of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyridazin-3-one?
The InChIKey is YLUIXFKMHUSCIE-MSOLQXFVSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14-7-8-16(15(2)25-14)12-24-20-11-21(26-27(3)22(20)28)29-13-17-10-18(17)19-6-4-5-9-23-19/h4-9,11,17-18,24H,10,12-13H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyridazin-3-one?
4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyridazin-3-one has a molecular weight of 391.48 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethyl-3-pyridinyl)methylamino]-2-methyl-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyridazin-3-one is sourced from PubChem (CID 86271613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).