1-(1-ethylpyrrolidin-2-yl)-N-[(5-phenyltriazolidin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine

C22H32N6 — CID 73305871

IUPAC1-(1-ethylpyrrolidin-2-yl)-N-[(5-phenyltriazolidin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCCN1CCCC1CN(Cc1ccccn1)CC1NNNC1c1ccccc1
InChIInChI=1S/C22H32N6/c1-2-28-14-8-12-20(28)16-27(15-19-11-6-7-13-23-19)17-21-22(25-26-24-21)18-9-4-3-5-10-18/h3-7,9-11,13,20-22,24-26H,2,8,12,14-17H2,1H3
InChIKeyBWDPWWXSVUGHHX-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.09
Rot. Bonds8

About 1-(1-ethylpyrrolidin-2-yl)-N-[(5-phenyltriazolidin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine

1-(1-ethylpyrrolidin-2-yl)-N-[(5-phenyltriazolidin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 73305871) has the molecular formula C22H32N6 and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-2-yl)-N-[(5-phenyltriazolidin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-2-yl)-N-[(5-phenyltriazolidin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID73305871
Molecular FormulaC22H32N6
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC Name1-(1-ethylpyrrolidin-2-yl)-N-[(5-phenyltriazolidin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCCN1CCCC1CN(Cc1ccccn1)CC1NNNC1c1ccccc1
InChIInChI=1S/C22H32N6/c1-2-28-14-8-12-20(28)16-27(15-19-11-6-7-13-23-19)17-21-22(25-26-24-21)18-9-4-3-5-10-18/h3-7,9-11,13,20-22,24-26H,2,8,12,14-17H2,1H3
InChIKeyBWDPWWXSVUGHHX-UHFFFAOYSA-N
XLogP2.09
TPSA55.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.09
H-Bond Donors ≤ 53
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
2-[[(1-ethylpyrrolidin-2-yl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 16676879
1-(1-ethylpyrrolidin-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)methanamine
CID 46961939
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2,2-dimethyl-3-morpholin-4-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 51595242
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 16677092
N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 16677094
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[2-[(2S)-oxan-2-yl]pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 51595296
N-benzyl-1-[(2R)-1-ethylpyrrolidin-2-yl]-N-(pyridin-4-ylmethyl)methanamine
CID 51631520
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
1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]methanamine
CID 106906839
2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine
CID 71215497
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79313468

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-[(5-phenyltriazolidin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-[(5-phenyltriazolidin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine (CID 73305871) is 1-(1-ethylpyrrolidin-2-yl)-N-[(5-phenyltriazolidin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-2-yl)-N-[(5-phenyltriazolidin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-2-yl)-N-[(5-phenyltriazolidin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine is CCN1CCCC1CN(Cc1ccccn1)CC1NNNC1c1ccccc1.
What is the InChIKey of 1-(1-ethylpyrrolidin-2-yl)-N-[(5-phenyltriazolidin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is BWDPWWXSVUGHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6/c1-2-28-14-8-12-20(28)16-27(15-19-11-6-7-13-23-19)17-21-22(25-26-24-21)18-9-4-3-5-10-18/h3-7,9-11,13,20-22,24-26H,2,8,12,14-17H2,1H3.
What are the key properties of 1-(1-ethylpyrrolidin-2-yl)-N-[(5-phenyltriazolidin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
1-(1-ethylpyrrolidin-2-yl)-N-[(5-phenyltriazolidin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 380.54 g/mol, XLogP of 2.09, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-2-yl)-N-[(5-phenyltriazolidin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 73305871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).