(1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol

C14H17N3O — CID 83132034

IUPAC(1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)Cc2cccnc2)cn1
InChIInChI=1S/C14H17N3O/c1-11(18)14-6-5-13(9-16-14)17(2)10-12-4-3-7-15-8-12/h3-9,11,18H,10H2,1-2H3/t11-/m0/s1
InChIKeyHOEVNZZUOQRKCA-NSHDSACASA-N
MW243.31 g/mol
LogP2.17
Rot. Bonds4

About (1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol

(1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol (PubChem CID 83132034) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol
PubChem CID83132034
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)Cc2cccnc2)cn1
InChIInChI=1S/C14H17N3O/c1-11(18)14-6-5-13(9-16-14)17(2)10-12-4-3-7-15-8-12/h3-9,11,18H,10H2,1-2H3/t11-/m0/s1
InChIKeyHOEVNZZUOQRKCA-NSHDSACASA-N
XLogP2.17
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
CID 63371061
(1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol
CID 83132028
(1S)-1-[5-[(4-fluorophenyl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131523
N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline
CID 43563488
(1S)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131703
(1R)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131878
1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
CID 43563565
(1R)-1-[5-[2,2-difluoroethyl(methyl)amino]-2-pyridinyl]ethanol
CID 104871019
6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 83121898
4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
CID 43563540
(1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132151
(1R)-1-[5-[methyl(prop-2-enyl)amino]-2-pyridinyl]ethanol
CID 83132695

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol (CID 83132034) is (1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol is C[C@H](O)c1ccc(N(C)Cc2cccnc2)cn1.
What is the InChIKey of (1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol?
The InChIKey is HOEVNZZUOQRKCA-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O/c1-11(18)14-6-5-13(9-16-14)17(2)10-12-4-3-7-15-8-12/h3-9,11,18H,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol?
(1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol has a molecular weight of 243.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[methyl(pyridin-3-ylmethyl)amino]-2-pyridinyl]ethanol is sourced from PubChem (CID 83132034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).