N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine

C21H26N4O2 — CID 121429591

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
SMILESCOc1ccc(CN(C)CCOC(c2ccccc2)c2ccnn2C)cn1
InChIInChI=1S/C21H26N4O2/c1-24(16-17-9-10-20(26-3)22-15-17)13-14-27-21(18-7-5-4-6-8-18)19-11-12-23-25(19)2/h4-12,15,21H,13-14,16H2,1-3H3
InChIKeyFHPZMTWMXYCHIF-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.06
Rot. Bonds9

About N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine

N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine (PubChem CID 121429591) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
PubChem CID121429591
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
SMILESCOc1ccc(CN(C)CCOC(c2ccccc2)c2ccnn2C)cn1
InChIInChI=1S/C21H26N4O2/c1-24(16-17-9-10-20(26-3)22-15-17)13-14-27-21(18-7-5-4-6-8-18)19-11-12-23-25(19)2/h4-12,15,21H,13-14,16H2,1-3H3
InChIKeyFHPZMTWMXYCHIF-UHFFFAOYSA-N
XLogP3.06
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine with MolForge

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Related Compounds

N-benzyl-N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-(3-methylthiophen-2-yl)methoxy]ethanamine
CID 121429630
1,1-dideuterio-N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine
CID 59575915
2-[2-[(3-fluorophenyl)methyl-methylamino]ethoxy-(2-methylpyrazol-3-yl)methyl]phenol
CID 121417893
N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride
CID 69346238
N-[(3-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-(1,3-thiazol-5-yl)methoxy]ethanamine
CID 121417985
N,N-dimethyl-2-[[1-methyl-2-methylidene-3-[[methyl-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]amino]methyl]-3H-pyrazol-2-ium-5-yl]-phenylmethoxy]ethanamine
CID 91185010
1-methyl-5-[phenyl(3-pyrrolidin-1-ylpropoxy)methyl]pyrazole
CID 11514934
1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one
CID 77089464
2-benzhydryloxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 60501602
1-ethyl-2-[2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethyl]piperidine
CID 11595069
(1R)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712228
(1S)-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylethanamine
CID 28712225

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine (CID 121429591) is N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine is COc1ccc(CN(C)CCOC(c2ccccc2)c2ccnn2C)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine?
The InChIKey is FHPZMTWMXYCHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-24(16-17-9-10-20(26-3)22-15-17)13-14-27-21(18-7-5-4-6-8-18)19-11-12-23-25(19)2/h4-12,15,21H,13-14,16H2,1-3H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine?
N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine has a molecular weight of 366.47 g/mol, XLogP of 3.06, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine is sourced from PubChem (CID 121429591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).