N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide

C18H25N5O2 — CID 95336593

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
SMILESCc1ccc(CN(C)C(=O)CN[C@H]2CCCN(c3cccnn3)C2)o1
InChIInChI=1S/C18H25N5O2/c1-14-7-8-16(25-14)13-22(2)18(24)11-19-15-5-4-10-23(12-15)17-6-3-9-20-21-17/h3,6-9,15,19H,4-5,10-13H2,1-2H3/t15-/m0/s1
InChIKeyFXULQTPZASLGQK-HNNXBMFYSA-N
MW343.43 g/mol
LogP1.60
Rot. Bonds6

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide (PubChem CID 95336593) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
PubChem CID95336593
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
SMILESCc1ccc(CN(C)C(=O)CN[C@H]2CCCN(c3cccnn3)C2)o1
InChIInChI=1S/C18H25N5O2/c1-14-7-8-16(25-14)13-22(2)18(24)11-19-15-5-4-10-23(12-15)17-6-3-9-20-21-17/h3,6-9,15,19H,4-5,10-13H2,1-2H3/t15-/m0/s1
InChIKeyFXULQTPZASLGQK-HNNXBMFYSA-N
XLogP1.60
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide with MolForge

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Related Compounds

N-(3-propan-2-yl-1,2-oxazol-5-yl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
CID 95344749
2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 95349268
N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide
CID 95337777
(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95331275
(3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95340373
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 154747903
2-(4-methylphenyl)-1-[(1-pyridazin-3-ylpiperidin-3-yl)amino]propan-2-ol
CID 71933008
N-[(3R)-2-oxoazepan-3-yl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
CID 95599997
3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119879707
(3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95342541
(3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95327503
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide
CID 98765693

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide (CID 95336593) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide is Cc1ccc(CN(C)C(=O)CN[C@H]2CCCN(c3cccnn3)C2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide?
The InChIKey is FXULQTPZASLGQK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-7-8-16(25-14)13-22(2)18(24)11-19-15-5-4-10-23(12-15)17-6-3-9-20-21-17/h3,6-9,15,19H,4-5,10-13H2,1-2H3/t15-/m0/s1.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide is sourced from PubChem (CID 95336593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).