2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide

C18H29N5O2 — CID 56802061

IUPAC2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide
SMILESCc1ccc(N2CCCC(N(C)CC(=O)NC3CCOCC3)C2)nn1
InChIInChI=1S/C18H29N5O2/c1-14-5-6-17(21-20-14)23-9-3-4-16(12-23)22(2)13-18(24)19-15-7-10-25-11-8-15/h5-6,15-16H,3-4,7-13H2,1-2H3,(H,19,24)
InChIKeyLEJZNOSFWQHPKJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.98
Rot. Bonds5

About 2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide

2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide (PubChem CID 56802061) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide
PubChem CID56802061
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide
SMILESCc1ccc(N2CCCC(N(C)CC(=O)NC3CCOCC3)C2)nn1
InChIInChI=1S/C18H29N5O2/c1-14-5-6-17(21-20-14)23-9-3-4-16(12-23)22(2)13-18(24)19-15-7-10-25-11-8-15/h5-6,15-16H,3-4,7-13H2,1-2H3,(H,19,24)
InChIKeyLEJZNOSFWQHPKJ-UHFFFAOYSA-N
XLogP0.98
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide with MolForge

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Related Compounds

(1S)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol
CID 100838546
(1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol
CID 95764452
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
CID 129161486
N-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide
CID 122139210
2-[(2-hydroxycyclohexyl)-methylamino]-N-(oxan-4-yl)acetamide
CID 102636606
(4R,4aR,8aR)-N-cyclopentyl-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367059
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
(3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 95757599
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine
CID 138022659
N,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 95599811
1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea
CID 127337250

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide (CID 56802061) is 2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide is Cc1ccc(N2CCCC(N(C)CC(=O)NC3CCOCC3)C2)nn1.
What is the InChIKey of 2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide?
The InChIKey is LEJZNOSFWQHPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14-5-6-17(21-20-14)23-9-3-4-16(12-23)22(2)13-18(24)19-15-7-10-25-11-8-15/h5-6,15-16H,3-4,7-13H2,1-2H3,(H,19,24).
What are the key properties of 2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide?
2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 56802061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).