N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide

C16H22N6O2 — CID 95337777

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide
SMILESCc1cc(NC(=O)CCN[C@@H]2CCCN(c3cccnn3)C2)no1
InChIInChI=1S/C16H22N6O2/c1-12-10-14(21-24-12)19-16(23)6-8-17-13-4-3-9-22(11-13)15-5-2-7-18-20-15/h2,5,7,10,13,17H,3-4,6,8-9,11H2,1H3,(H,19,21,23)/t13-/m1/s1
InChIKeyYVVNESXWTUXGEB-CYBMUJFWSA-N
MW330.39 g/mol
LogP1.36
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide (PubChem CID 95337777) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide
PubChem CID95337777
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide
SMILESCc1cc(NC(=O)CCN[C@@H]2CCCN(c3cccnn3)C2)no1
InChIInChI=1S/C16H22N6O2/c1-12-10-14(21-24-12)19-16(23)6-8-17-13-4-3-9-22(11-13)15-5-2-7-18-20-15/h2,5,7,10,13,17H,3-4,6,8-9,11H2,1H3,(H,19,21,23)/t13-/m1/s1
InChIKeyYVVNESXWTUXGEB-CYBMUJFWSA-N
XLogP1.36
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide 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
3-(cycloheptylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109031668
(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95331275
(3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95327503
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
CID 95336593
2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 95349268
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propanamide
CID 95764501
(3S)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95342541
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 154747903
(3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321236
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
3-amino-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide;hydrochloride
CID 120872944

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide (CID 95337777) is N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide is Cc1cc(NC(=O)CCN[C@@H]2CCCN(c3cccnn3)C2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide?
The InChIKey is YVVNESXWTUXGEB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-12-10-14(21-24-12)19-16(23)6-8-17-13-4-3-9-22(11-13)15-5-2-7-18-20-15/h2,5,7,10,13,17H,3-4,6,8-9,11H2,1H3,(H,19,21,23)/t13-/m1/s1.
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide has a molecular weight of 330.39 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide is sourced from PubChem (CID 95337777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).