N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine

C19H24N4O2 — CID 95600328

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
SMILESCN(Cc1ccc2c(c1)OCCO2)C[C@H]1CCCN1c1cccnn1
InChIInChI=1S/C19H24N4O2/c1-22(13-15-6-7-17-18(12-15)25-11-10-24-17)14-16-4-3-9-23(16)19-5-2-8-20-21-19/h2,5-8,12,16H,3-4,9-11,13-14H2,1H3/t16-/m1/s1
InChIKeyPCQPEKHZIGRDDT-MRXNPFEDSA-N
MW340.43 g/mol
LogP2.35
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine (PubChem CID 95600328) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
PubChem CID95600328
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
SMILESCN(Cc1ccc2c(c1)OCCO2)C[C@H]1CCCN1c1cccnn1
InChIInChI=1S/C19H24N4O2/c1-22(13-15-6-7-17-18(12-15)25-11-10-24-17)14-16-4-3-9-23(16)19-5-2-8-20-21-19/h2,5-8,12,16H,3-4,9-11,13-14H2,1H3/t16-/m1/s1
InChIKeyPCQPEKHZIGRDDT-MRXNPFEDSA-N
XLogP2.35
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778274
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 86894511
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 95334841
N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
CID 86894438
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778280
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778278
N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56781014
N-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 86894446
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95600239
N-[[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 86903704
7-methyl-4-[[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]methyl]-6-propan-2-ylchromen-2-one
CID 86894760
(2S)-1-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 95610890

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine (CID 95600328) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine is CN(Cc1ccc2c(c1)OCCO2)C[C@H]1CCCN1c1cccnn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
The InChIKey is PCQPEKHZIGRDDT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22(13-15-6-7-17-18(12-15)25-11-10-24-17)14-16-4-3-9-23(16)19-5-2-8-20-21-19/h2,5-8,12,16H,3-4,9-11,13-14H2,1H3/t16-/m1/s1.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine has a molecular weight of 340.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 95600328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).