(1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol

C16H21N3O — CID 103938326

IUPAC(1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(N(C)CCc2ccccn2)cn1
InChIInChI=1S/C16H21N3O/c1-3-16(20)15-8-7-14(12-18-15)19(2)11-9-13-6-4-5-10-17-13/h4-8,10,12,16,20H,3,9,11H2,1-2H3/t16-/m1/s1
InChIKeyNBSDLWOGNYDDPL-MRXNPFEDSA-N
MW271.36 g/mol
LogP2.60
Rot. Bonds6

About (1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol

(1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol (PubChem CID 103938326) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol
PubChem CID103938326
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(N(C)CCc2ccccn2)cn1
InChIInChI=1S/C16H21N3O/c1-3-16(20)15-8-7-14(12-18-15)19(2)11-9-13-6-4-5-10-17-13/h4-8,10,12,16,20H,3,9,11H2,1-2H3/t16-/m1/s1
InChIKeyNBSDLWOGNYDDPL-MRXNPFEDSA-N
XLogP2.60
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[5-[methyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938385
6-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyridin-3-amine
CID 83122719
(1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938832
(1R)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938831
1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol
CID 115940386
3-[[6-(1-hydroxypropyl)-3-pyridinyl]-methylamino]propanenitrile
CID 112585242
N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide
CID 136990475
(1R)-1-[5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938756
1-[5-[(2-bromophenyl)methyl-methylamino]-2-pyridinyl]propan-1-ol
CID 115940397
4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784582
2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide
CID 103938368

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of (1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol (CID 103938326) is (1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol is CC[C@@H](O)c1ccc(N(C)CCc2ccccn2)cn1.
What is the InChIKey of (1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol?
The InChIKey is NBSDLWOGNYDDPL-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-16(20)15-8-7-14(12-18-15)19(2)11-9-13-6-4-5-10-17-13/h4-8,10,12,16,20H,3,9,11H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol?
(1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 103938326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).