(3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine

C16H22N4O — CID 95340373

IUPAC(3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
SMILESCc1ccc(N2CCC[C@H](NCc3ccc(C)o3)C2)nn1
InChIInChI=1S/C16H22N4O/c1-12-5-8-16(19-18-12)20-9-3-4-14(11-20)17-10-15-7-6-13(2)21-15/h5-8,14,17H,3-4,9-11H2,1-2H3/t14-/m0/s1
InChIKeyZGPIQZSQFQDNNF-AWEZNQCLSA-N
MW286.38 g/mol
LogP2.45
Rot. Bonds4

About (3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine

(3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine (PubChem CID 95340373) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
PubChem CID95340373
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
SMILESCc1ccc(N2CCC[C@H](NCc3ccc(C)o3)C2)nn1
InChIInChI=1S/C16H22N4O/c1-12-5-8-16(19-18-12)20-9-3-4-14(11-20)17-10-15-7-6-13(2)21-15/h5-8,14,17H,3-4,9-11H2,1-2H3/t14-/m0/s1
InChIKeyZGPIQZSQFQDNNF-AWEZNQCLSA-N
XLogP2.45
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
CID 95340378
(3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95348610
(3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95338340
(3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
CID 97186357
4-fluoro-3-[[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]methyl]benzonitrile
CID 97186348
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 167779685
(3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
CID 95347521
(3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
CID 95339381
(2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 95351729
(2R)-1-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 98761235
N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]cyclobutanamine
CID 126916780
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]acetamide
CID 95336593

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The IUPAC name of (3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine (CID 95340373) is (3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine.
What is the SMILES notation for (3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The canonical SMILES for (3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine is Cc1ccc(N2CCC[C@H](NCc3ccc(C)o3)C2)nn1.
What is the InChIKey of (3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The InChIKey is ZGPIQZSQFQDNNF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-5-8-16(19-18-12)20-9-3-4-14(11-20)17-10-15-7-6-13(2)21-15/h5-8,14,17H,3-4,9-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
(3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine is sourced from PubChem (CID 95340373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).