N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methanamine

C22H32N4O3 — CID 74774906

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methanamine
SMILESCCc1ccc(CN(C)CC2CNNC2c2cc(OC)c(OC)c(OC)c2)nc1
InChIInChI=1S/C22H32N4O3/c1-6-15-7-8-18(23-11-15)14-26(2)13-17-12-24-25-21(17)16-9-19(27-3)22(29-5)20(10-16)28-4/h7-11,17,21,24-25H,6,12-14H2,1-5H3
InChIKeyWIZLCHCQGPASCX-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.57
Rot. Bonds9

About N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methanamine

N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methanamine (PubChem CID 74774906) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methanamine
PubChem CID74774906
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methanamine
SMILESCCc1ccc(CN(C)CC2CNNC2c2cc(OC)c(OC)c(OC)c2)nc1
InChIInChI=1S/C22H32N4O3/c1-6-15-7-8-18(23-11-15)14-26(2)13-17-12-24-25-21(17)16-9-19(27-3)22(29-5)20(10-16)28-4/h7-11,17,21,24-25H,6,12-14H2,1-5H3
InChIKeyWIZLCHCQGPASCX-UHFFFAOYSA-N
XLogP2.57
TPSA67.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methanamine with MolForge

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Related Compounds

2-[benzyl-[[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methyl]amino]ethanol
CID 74441611
N-[(5-ethyl-2-pyridinyl)methyl]-2-methoxy-N-methylethanamine
CID 90369559
1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-(quinoxalin-2-ylmethyl)methanamine
CID 75258392
1-[3-(3-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine
CID 134127855
1-[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylmethanamine
CID 124848564
1-[3-(3,4-dimethylphenyl)pyrazolidin-4-yl]-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanamine
CID 74810972
3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-7-fluoro-1H-quinolin-2-one
CID 56705728
(2R)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(4-fluorophenyl)-2-hydroxy-N-methylacetamide
CID 99929265
N-methyl-1-pyrrolidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 106602528
3-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidine
CID 5112022
N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine
CID 74235277
2-(4-ethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)aziridine
CID 175257882

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methanamine?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methanamine (CID 74774906) is N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methanamine.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methanamine?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methanamine is CCc1ccc(CN(C)CC2CNNC2c2cc(OC)c(OC)c(OC)c2)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methanamine?
The InChIKey is WIZLCHCQGPASCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-6-15-7-8-18(23-11-15)14-26(2)13-17-12-24-25-21(17)16-9-19(27-3)22(29-5)20(10-16)28-4/h7-11,17,21,24-25H,6,12-14H2,1-5H3.
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methanamine?
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methanamine has a molecular weight of 400.52 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[3-(3,4,5-trimethoxyphenyl)pyrazolidin-4-yl]methanamine is sourced from PubChem (CID 74774906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).