(2S,6R)-2,6-dimethyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

C21H29N5O — CID 157444839

IUPAC(2S,6R)-2,6-dimethyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2C[C@@H](C)N(C(=O)Nc3ccc(C(C)C)cc3)[C@@H](C)C2)nn1
InChIInChI=1S/C21H29N5O/c1-14(2)18-7-9-19(10-8-18)22-21(27)26-16(4)12-25(13-17(26)5)20-11-6-15(3)23-24-20/h6-11,14,16-17H,12-13H2,1-5H3,(H,22,27)/t16-,17+
InChIKeyYSYCFBQJZHYIOB-CALCHBBNSA-N
MW367.50 g/mol
LogP4.04
Rot. Bonds3

About (2S,6R)-2,6-dimethyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

(2S,6R)-2,6-dimethyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 157444839) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID157444839
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name(2S,6R)-2,6-dimethyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2C[C@@H](C)N(C(=O)Nc3ccc(C(C)C)cc3)[C@@H](C)C2)nn1
InChIInChI=1S/C21H29N5O/c1-14(2)18-7-9-19(10-8-18)22-21(27)26-16(4)12-25(13-17(26)5)20-11-6-15(3)23-24-20/h6-11,14,16-17H,12-13H2,1-5H3,(H,22,27)/t16-,17+
InChIKeyYSYCFBQJZHYIOB-CALCHBBNSA-N
XLogP4.04
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,6R)-2,6-dimethyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide with MolForge

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Related Compounds

(2S)-2-methyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 157444836
7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 159999194
N-[(3S,4R)-4-amino-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 157444837
N-[(3R,4S)-4-(methylamino)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 158954964
1-[(3aS,6aR)-2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 161222245
N-[(3R,4R)-4-hydroxy-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-1-(4-propan-2-ylphenyl)methanesulfonamide
CID 157429869
4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 157444833
1-[(3S)-1-(6-cyanopyridazin-3-yl)-4-oxopyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 139548157
(3S,4S)-4-cyclopropyl-1-(6-methylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 72858383
1-[(3S,4S)-1-(6-cyanopyridazin-3-yl)-4-(methylamino)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 139548282
3-methyl-4-(4-methylphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 4993779
1-[(3R,4S)-1-(6-cyanopyridazin-3-yl)-4-(dimethylamino)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 139548283

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 157444839) is (2S,6R)-2,6-dimethyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is Cc1ccc(N2C[C@@H](C)N(C(=O)Nc3ccc(C(C)C)cc3)[C@@H](C)C2)nn1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is YSYCFBQJZHYIOB-CALCHBBNSA-N. The full InChI is InChI=1S/C21H29N5O/c1-14(2)18-7-9-19(10-8-18)22-21(27)26-16(4)12-25(13-17(26)5)20-11-6-15(3)23-24-20/h6-11,14,16-17H,12-13H2,1-5H3,(H,22,27)/t16-,17+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
(2S,6R)-2,6-dimethyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 157444839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).