1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol

C16H21N3O — CID 115940386

IUPAC1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N(C)CCc2ccncc2)cn1
InChIInChI=1S/C16H21N3O/c1-3-16(20)15-5-4-14(12-18-15)19(2)11-8-13-6-9-17-10-7-13/h4-7,9-10,12,16,20H,3,8,11H2,1-2H3
InChIKeyJQQYBSIPSRWKNH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.60
Rot. Bonds6

About 1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol

1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol (PubChem CID 115940386) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol
PubChem CID115940386
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(N(C)CCc2ccncc2)cn1
InChIInChI=1S/C16H21N3O/c1-3-16(20)15-5-4-14(12-18-15)19(2)11-8-13-6-9-17-10-7-13/h4-7,9-10,12,16,20H,3,8,11H2,1-2H3
InChIKeyJQQYBSIPSRWKNH-UHFFFAOYSA-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(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938831
(1S)-1-[5-[methyl(2-phenylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938832
1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
(1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938326
6-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-3-amine
CID 115486899
5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide
CID 115488282
(1R)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol
CID 103938329
1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]propan-1-ol
CID 115940380
5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide
CID 109192958
N-methyl-6-[1-(methylamino)propyl]-N-(2-phenylethyl)pyridin-3-amine
CID 115939684
2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide
CID 103938368
(1R)-1-[5-[methyl(pyridin-2-ylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938385

Frequently Asked Questions

What is the IUPAC name of 1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol (CID 115940386) is 1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(N(C)CCc2ccncc2)cn1.
What is the InChIKey of 1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol?
The InChIKey is JQQYBSIPSRWKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-16(20)15-5-4-14(12-18-15)19(2)11-8-13-6-9-17-10-7-13/h4-7,9-10,12,16,20H,3,8,11H2,1-2H3.
What are the key properties of 1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol?
1-[5-[methyl(2-pyridin-4-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 1-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 115940386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).