N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine

C16H21N3O — CID 105158151

IUPACN-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccn1)c1cccnc1OC
InChIInChI=1S/C16H21N3O/c1-3-9-18-15(12-13-7-4-5-10-17-13)14-8-6-11-19-16(14)20-2/h4-8,10-11,15,18H,3,9,12H2,1-2H3
InChIKeyNLLBBNVRZLKNGP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.77
Rot. Bonds7

About N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine

N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine (PubChem CID 105158151) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine
PubChem CID105158151
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccn1)c1cccnc1OC
InChIInChI=1S/C16H21N3O/c1-3-9-18-15(12-13-7-4-5-10-17-13)14-8-6-11-19-16(14)20-2/h4-8,10-11,15,18H,3,9,12H2,1-2H3
InChIKeyNLLBBNVRZLKNGP-UHFFFAOYSA-N
XLogP2.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-3-pyridinyl)-N-propylheptan-1-amine
CID 105126504
N-[1-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 105114314
4-methoxy-1-(2-methoxy-3-pyridinyl)-4-methyl-N-propylpentan-1-amine
CID 103031708
N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 102803943
N-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 102812507
1-phenyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105083650
N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 62550641
1-(1-ethylimidazol-2-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105149718
N-[1-(2-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66447483
N-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105140730
N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105080054
N-ethyl-1-(2-methylphenyl)-2-pyridin-2-ylethanamine
CID 60819742

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine (CID 105158151) is N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine is CCCNC(Cc1ccccn1)c1cccnc1OC.
What is the InChIKey of N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine?
The InChIKey is NLLBBNVRZLKNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-9-18-15(12-13-7-4-5-10-17-13)14-8-6-11-19-16(14)20-2/h4-8,10-11,15,18H,3,9,12H2,1-2H3.
What are the key properties of N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine?
N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine is sourced from PubChem (CID 105158151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).