1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine

C22H33N5O — CID 51595296

IUPAC1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCCN1CCC[C@H]1CN(Cc1ccccn1)Cc1ccnn1[C@@H]1CCCCO1
InChIInChI=1S/C22H33N5O/c1-2-26-14-7-9-20(26)17-25(16-19-8-3-5-12-23-19)18-21-11-13-24-27(21)22-10-4-6-15-28-22/h3,5,8,11-13,20,22H,2,4,6-7,9-10,14-18H2,1H3/t20-,22-/m0/s1
InChIKeyOZTWTTDLLHEPNA-UNMCSNQZSA-N
MW383.54 g/mol
LogP3.46
Rot. Bonds8

About 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine

1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 51595296) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID51595296
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCCN1CCC[C@H]1CN(Cc1ccccn1)Cc1ccnn1[C@@H]1CCCCO1
InChIInChI=1S/C22H33N5O/c1-2-26-14-7-9-20(26)17-25(16-19-8-3-5-12-23-19)18-21-11-13-24-27(21)22-10-4-6-15-28-22/h3,5,8,11-13,20,22H,2,4,6-7,9-10,14-18H2,1H3/t20-,22-/m0/s1
InChIKeyOZTWTTDLLHEPNA-UNMCSNQZSA-N
XLogP3.46
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 51631550
1-(1-ethylpyrrolidin-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)methanamine
CID 46961939
2-[[(1-ethylpyrrolidin-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 16676879
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,2-dimethyl-3-morpholin-4-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 51595242
1-(1-ethylpyrrolidin-2-yl)-N-[(5-phenyltriazolidin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 73305871
N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 16677094
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 16677092
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[(2-pyridin-2-ylpyrazol-3-yl)methyl]formamide
CID 146146197
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171670970
N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51631520
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
N-[(1-ethylindol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 99929466

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine (CID 51595296) is 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine is CCN1CCC[C@H]1CN(Cc1ccccn1)Cc1ccnn1[C@@H]1CCCCO1.
What is the InChIKey of 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is OZTWTTDLLHEPNA-UNMCSNQZSA-N. The full InChI is InChI=1S/C22H33N5O/c1-2-26-14-7-9-20(26)17-25(16-19-8-3-5-12-23-19)18-21-11-13-24-27(21)22-10-4-6-15-28-22/h3,5,8,11-13,20,22H,2,4,6-7,9-10,14-18H2,1H3/t20-,22-/m0/s1.
What are the key properties of 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine?
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 383.54 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 51595296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).