(2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone

C26H29N3O4 — CID 110130260

IUPAC(2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCOc1cccc(Nc2cc(C)nc(C3CCN(C(=O)c4c(OC)cccc4OC)C3)c2)c1
InChIInChI=1S/C26H29N3O4/c1-17-13-20(28-19-7-5-8-21(14-19)31-2)15-22(27-17)18-11-12-29(16-18)26(30)25-23(32-3)9-6-10-24(25)33-4/h5-10,13-15,18H,11-12,16H2,1-4H3,(H,27,28)
InChIKeyMZKJFRKHQBUGJE-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.79
Rot. Bonds7

About (2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone

(2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 110130260) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID110130260
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name(2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCOc1cccc(Nc2cc(C)nc(C3CCN(C(=O)c4c(OC)cccc4OC)C3)c2)c1
InChIInChI=1S/C26H29N3O4/c1-17-13-20(28-19-7-5-8-21(14-19)31-2)15-22(27-17)18-11-12-29(16-18)26(30)25-23(32-3)9-6-10-24(25)33-4/h5-10,13-15,18H,11-12,16H2,1-4H3,(H,27,28)
InChIKeyMZKJFRKHQBUGJE-UHFFFAOYSA-N
XLogP4.79
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110088942
[(3R)-3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 125026598
2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 110088939
[(3S)-3-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971390
1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one
CID 110088969
2,3-dihydro-1,4-benzodioxin-6-yl-[(3R)-3-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124988539
N-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 125020442
N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide
CID 110088970
(2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110092290
[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124966610
[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110252448
2-(3-methoxyphenyl)-1-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110093130

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 110130260) is (2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone is COc1cccc(Nc2cc(C)nc(C3CCN(C(=O)c4c(OC)cccc4OC)C3)c2)c1.
What is the InChIKey of (2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is MZKJFRKHQBUGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-17-13-20(28-19-7-5-8-21(14-19)31-2)15-22(27-17)18-11-12-29(16-18)26(30)25-23(32-3)9-6-10-24(25)33-4/h5-10,13-15,18H,11-12,16H2,1-4H3,(H,27,28).
What are the key properties of (2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone?
(2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 447.54 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110130260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).