N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

C20H26N4O — CID 119127367

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCC1(C)Cc2cc(CNC3CCCN(c4cccnn4)C3)ccc2O1
InChIInChI=1S/C20H26N4O/c1-20(2)12-16-11-15(7-8-18(16)25-20)13-21-17-5-4-10-24(14-17)19-6-3-9-22-23-19/h3,6-9,11,17,21H,4-5,10,12-14H2,1-2H3
InChIKeyLTFAINHSRBCMIB-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.95
Rot. Bonds4

About N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 119127367) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID119127367
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCC1(C)Cc2cc(CNC3CCCN(c4cccnn4)C3)ccc2O1
InChIInChI=1S/C20H26N4O/c1-20(2)12-16-11-15(7-8-18(16)25-20)13-21-17-5-4-10-24(14-17)19-6-3-9-22-23-19/h3,6-9,11,17,21H,4-5,10,12-14H2,1-2H3
InChIKeyLTFAINHSRBCMIB-UHFFFAOYSA-N
XLogP2.95
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127354
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119125297
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127383
N-[[3-(3-methoxypropoxy)phenyl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127441
(3S)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95336987
N-[(4-methoxy-3-nitrophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119124011
1-pyridazin-3-yl-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperidin-3-amine
CID 119125214
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 154747903
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-ethylpiperidin-4-amine
CID 63271340

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 119127367) is N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is CC1(C)Cc2cc(CNC3CCCN(c4cccnn4)C3)ccc2O1.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is LTFAINHSRBCMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-20(2)12-16-11-15(7-8-18(16)25-20)13-21-17-5-4-10-24(14-17)19-6-3-9-22-23-19/h3,6-9,11,17,21H,4-5,10,12-14H2,1-2H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 338.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 119127367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).