(1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol

C16H21N3O — CID 83131657

IUPAC(1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol
SMILESCCN(Cc1cccc(C)n1)c1ccc([C@H](C)O)nc1
InChIInChI=1S/C16H21N3O/c1-4-19(11-14-7-5-6-12(2)18-14)15-8-9-16(13(3)20)17-10-15/h5-10,13,20H,4,11H2,1-3H3/t13-/m0/s1
InChIKeyWDTWHORVECBGQW-ZDUSSCGKSA-N
MW271.36 g/mol
LogP2.86
Rot. Bonds5

About (1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol

(1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol (PubChem CID 83131657) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol
PubChem CID83131657
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol
SMILESCCN(Cc1cccc(C)n1)c1ccc([C@H](C)O)nc1
InChIInChI=1S/C16H21N3O/c1-4-19(11-14-7-5-6-12(2)18-14)15-8-9-16(13(3)20)17-10-15/h5-10,13,20H,4,11H2,1-3H3/t13-/m0/s1
InChIKeyWDTWHORVECBGQW-ZDUSSCGKSA-N
XLogP2.86
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol with MolForge

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Related Compounds

6-[(1R)-1-aminoethyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 83128125
(1R)-1-[5-[ethyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132096
(1R)-1-[5-[ethyl(2-methylbutyl)amino]-2-pyridinyl]ethanol
CID 83132263
1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanol
CID 83132254
(1S)-1-[5-[ethyl(2-methylprop-2-enyl)amino]-2-pyridinyl]ethanol
CID 83131507
2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2,5-diamine
CID 80652405
1-[5-(N-ethyl-2-methylanilino)-2-pyridinyl]ethanol
CID 83132708
N-ethyl-2-[ethyl-[6-(1-hydroxyethyl)-3-pyridinyl]amino]acetamide
CID 83132139
(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol
CID 103935273
3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid
CID 102823192
(1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol
CID 83132626
3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
CID 114287739

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol (CID 83131657) is (1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol is CCN(Cc1cccc(C)n1)c1ccc([C@H](C)O)nc1.
What is the InChIKey of (1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol?
The InChIKey is WDTWHORVECBGQW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-19(11-14-7-5-6-12(2)18-14)15-8-9-16(13(3)20)17-10-15/h5-10,13,20H,4,11H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol?
(1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol has a molecular weight of 271.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-pyridinyl]ethanol is sourced from PubChem (CID 83131657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).