4-[[[(1R)-1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]amino]methyl]pyridin-2-amine

C20H22N4O — CID 99838870

IUPAC4-[[[(1R)-1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]amino]methyl]pyridin-2-amine
SMILESC[C@@H](NCc1ccnc(N)c1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C20H22N4O/c1-15(24-13-16-8-10-23-20(21)11-16)17-5-4-7-19(12-17)25-14-18-6-2-3-9-22-18/h2-12,15,24H,13-14H2,1H3,(H2,21,23)/t15-/m1/s1
InChIKeyNNGRJRCLODEDJQ-OAHLLOKOSA-N
MW334.42 g/mol
LogP3.49
Rot. Bonds7

About 4-[[[(1R)-1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]amino]methyl]pyridin-2-amine

4-[[[(1R)-1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]amino]methyl]pyridin-2-amine (PubChem CID 99838870) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[[[(1R)-1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[[[(1R)-1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]amino]methyl]pyridin-2-amine
PubChem CID99838870
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-[[[(1R)-1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]amino]methyl]pyridin-2-amine
SMILESC[C@@H](NCc1ccnc(N)c1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C20H22N4O/c1-15(24-13-16-8-10-23-20(21)11-16)17-5-4-7-19(12-17)25-14-18-6-2-3-9-22-18/h2-12,15,24H,13-14H2,1H3,(H2,21,23)/t15-/m1/s1
InChIKeyNNGRJRCLODEDJQ-OAHLLOKOSA-N
XLogP3.49
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[(1R)-1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]amino]methyl]pyridin-2-amine with MolForge

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Related Compounds

(1R)-1-(3-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 59803177
4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 62464940
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 119852161
3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120503030
1-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43193663
2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 55901872
4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120595493
4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901485
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 47063190
(1R)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine
CID 95282173
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55902507
1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549388

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1R)-1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]amino]methyl]pyridin-2-amine?
The IUPAC name of 4-[[[(1R)-1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]amino]methyl]pyridin-2-amine (CID 99838870) is 4-[[[(1R)-1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]amino]methyl]pyridin-2-amine.
What is the SMILES notation for 4-[[[(1R)-1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]amino]methyl]pyridin-2-amine?
The canonical SMILES for 4-[[[(1R)-1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]amino]methyl]pyridin-2-amine is C[C@@H](NCc1ccnc(N)c1)c1cccc(OCc2ccccn2)c1.
What is the InChIKey of 4-[[[(1R)-1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]amino]methyl]pyridin-2-amine?
The InChIKey is NNGRJRCLODEDJQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15(24-13-16-8-10-23-20(21)11-16)17-5-4-7-19(12-17)25-14-18-6-2-3-9-22-18/h2-12,15,24H,13-14H2,1H3,(H2,21,23)/t15-/m1/s1.
What are the key properties of 4-[[[(1R)-1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]amino]methyl]pyridin-2-amine?
4-[[[(1R)-1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]amino]methyl]pyridin-2-amine has a molecular weight of 334.42 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1R)-1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]amino]methyl]pyridin-2-amine is sourced from PubChem (CID 99838870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).