1-(1-ethylpyrrolidin-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine

C24H35N3O2 — CID 43818095

IUPAC1-(1-ethylpyrrolidin-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCCN1CCCC1CN(Cc1cccnc1)Cc1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C24H35N3O2/c1-5-27-13-7-9-22(27)18-26(17-21-8-6-12-25-15-21)16-20-10-11-23(29-19(2)3)24(14-20)28-4/h6,8,10-12,14-15,19,22H,5,7,9,13,16-18H2,1-4H3
InChIKeyADRUQHQZVMIWDF-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.36
Rot. Bonds10

About 1-(1-ethylpyrrolidin-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine

1-(1-ethylpyrrolidin-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 43818095) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
PubChem CID43818095
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name1-(1-ethylpyrrolidin-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCCN1CCCC1CN(Cc1cccnc1)Cc1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C24H35N3O2/c1-5-27-13-7-9-22(27)18-26(17-21-8-6-12-25-15-21)16-20-10-11-23(29-19(2)3)24(14-20)28-4/h6,8,10-12,14-15,19,22H,5,7,9,13,16-18H2,1-4H3
InChIKeyADRUQHQZVMIWDF-UHFFFAOYSA-N
XLogP4.36
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(6-methoxy-2H-chromen-3-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 51595316
1-[(3S)-1-cyclohexylpiperidin-3-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 42519066
N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51631520
N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51623338
3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 86932709
N-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide
CID 26363492
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 79313456
1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 3157143
(2S,3S)-1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124642
N-[(2-chlorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 46961800
N-[(2-chlorophenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51623399
(2S)-1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122038785

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine (CID 43818095) is 1-(1-ethylpyrrolidin-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine is CCN1CCCC1CN(Cc1cccnc1)Cc1ccc(OC(C)C)c(OC)c1.
What is the InChIKey of 1-(1-ethylpyrrolidin-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is ADRUQHQZVMIWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-5-27-13-7-9-22(27)18-26(17-21-8-6-12-25-15-21)16-20-10-11-23(29-19(2)3)24(14-20)28-4/h6,8,10-12,14-15,19,22H,5,7,9,13,16-18H2,1-4H3.
What are the key properties of 1-(1-ethylpyrrolidin-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine?
1-(1-ethylpyrrolidin-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 397.56 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-2-yl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 43818095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).