5-methoxy-N-(1-methoxypropan-2-yl)-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2-prop-1-en-2-ylpyridin-3-amine

C22H31N3O3 — CID 143014953

IUPAC5-methoxy-N-(1-methoxypropan-2-yl)-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2-prop-1-en-2-ylpyridin-3-amine
SMILESC=C(C)c1nc(-c2ccc(C(C)C)nc2OC)c(OC)cc1NC(C)COC
InChIInChI=1S/C22H31N3O3/c1-13(2)17-10-9-16(22(24-17)28-8)21-19(27-7)11-18(20(25-21)14(3)4)23-15(5)12-26-6/h9-11,13,15,23H,3,12H2,1-2,4-8H3
InChIKeyYTLDJPLOLLQPRQ-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.76
Rot. Bonds9

About 5-methoxy-N-(1-methoxypropan-2-yl)-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2-prop-1-en-2-ylpyridin-3-amine

5-methoxy-N-(1-methoxypropan-2-yl)-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2-prop-1-en-2-ylpyridin-3-amine (PubChem CID 143014953) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 5-methoxy-N-(1-methoxypropan-2-yl)-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2-prop-1-en-2-ylpyridin-3-amine.

Molecular Properties

Compound Name5-methoxy-N-(1-methoxypropan-2-yl)-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2-prop-1-en-2-ylpyridin-3-amine
PubChem CID143014953
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name5-methoxy-N-(1-methoxypropan-2-yl)-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2-prop-1-en-2-ylpyridin-3-amine
SMILESC=C(C)c1nc(-c2ccc(C(C)C)nc2OC)c(OC)cc1NC(C)COC
InChIInChI=1S/C22H31N3O3/c1-13(2)17-10-9-16(22(24-17)28-8)21-19(27-7)11-18(20(25-21)14(3)4)23-15(5)12-26-6/h9-11,13,15,23H,3,12H2,1-2,4-8H3
InChIKeyYTLDJPLOLLQPRQ-UHFFFAOYSA-N
XLogP4.76
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-3-((S)-1-(6-methoxy-2-methyl-3-pyridyloxy)-3-methylbutyl)-pyrrolidine
CID 59536635
6-methoxy-2-methyl-3-[(1R)-3-methyl-1-[(3R)-pyrrolidin-3-yl]butoxy]pyridine
CID 73347369
6-methoxy-2-methyl-3-[(1S)-3-methyl-1-[(3R)-pyrrolidin-3-yl]butoxy]pyridine
CID 73348887
6-methoxy-2-methyl-3-[(1R)-3-methyl-1-[(3S)-pyrrolidin-3-yl]butoxy]pyridine
CID 73356510
US10155760, Example 65
CID 118429839
US10155760, Example 228
CID 118429881
5-[(2S)-2-amino-3-phenylpropoxy]-N-(pyridin-3-yl)pyridin-3-amine
CID 23646954
N-[(6-methoxy-2-pyridinyl)methyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325487
US11026923, Example 125
CID 138746699
5-[(2S)-2-amino-3-phenylpropoxy]-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 23646946
5-[(2S)-2-amino-3-phenylpropoxy]-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 23646947
5-[(2S)-2-amino-3-phenylpropoxy]-N-(pyridin-4-yl)pyridin-3-amine
CID 23646953

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(1-methoxypropan-2-yl)-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2-prop-1-en-2-ylpyridin-3-amine?
The IUPAC name of 5-methoxy-N-(1-methoxypropan-2-yl)-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2-prop-1-en-2-ylpyridin-3-amine (CID 143014953) is 5-methoxy-N-(1-methoxypropan-2-yl)-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2-prop-1-en-2-ylpyridin-3-amine.
What is the SMILES notation for 5-methoxy-N-(1-methoxypropan-2-yl)-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2-prop-1-en-2-ylpyridin-3-amine?
The canonical SMILES for 5-methoxy-N-(1-methoxypropan-2-yl)-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2-prop-1-en-2-ylpyridin-3-amine is C=C(C)c1nc(-c2ccc(C(C)C)nc2OC)c(OC)cc1NC(C)COC.
What is the InChIKey of 5-methoxy-N-(1-methoxypropan-2-yl)-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2-prop-1-en-2-ylpyridin-3-amine?
The InChIKey is YTLDJPLOLLQPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-13(2)17-10-9-16(22(24-17)28-8)21-19(27-7)11-18(20(25-21)14(3)4)23-15(5)12-26-6/h9-11,13,15,23H,3,12H2,1-2,4-8H3.
What are the key properties of 5-methoxy-N-(1-methoxypropan-2-yl)-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2-prop-1-en-2-ylpyridin-3-amine?
5-methoxy-N-(1-methoxypropan-2-yl)-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2-prop-1-en-2-ylpyridin-3-amine has a molecular weight of 385.51 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(1-methoxypropan-2-yl)-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-2-prop-1-en-2-ylpyridin-3-amine is sourced from PubChem (CID 143014953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).