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

C25H28N4O3 — CID 110252448

IUPAC[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCCC(c2cc(-c3ccc(N)nc3)cc(C)n2)C1
InChIInChI=1S/C25H28N4O3/c1-16-12-19(17-9-10-23(26)27-14-17)13-20(28-16)18-6-5-11-29(15-18)25(30)24-21(31-2)7-4-8-22(24)32-3/h4,7-10,12-14,18H,5-6,11,15H2,1-3H3,(H2,26,27)
InChIKeyQTWLIAIMHDMUSW-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.07
Rot. Bonds5

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

[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone (PubChem CID 110252448) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is [3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
PubChem CID110252448
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCCC(c2cc(-c3ccc(N)nc3)cc(C)n2)C1
InChIInChI=1S/C25H28N4O3/c1-16-12-19(17-9-10-23(26)27-14-17)13-20(28-16)18-6-5-11-29(15-18)25(30)24-21(31-2)7-4-8-22(24)32-3/h4,7-10,12-14,18H,5-6,11,15H2,1-3H3,(H2,26,27)
InChIKeyQTWLIAIMHDMUSW-UHFFFAOYSA-N
XLogP4.07
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone with MolForge

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Related Compounds

[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone
CID 95813951
[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 95814069
(2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110091898
(2,4-dimethoxyphenyl)-[3-[4-(3-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110092290
[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 110264819
(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 125019122
[(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone
CID 95813924
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124965658
isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110091884
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 124968000
(2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110130260
[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110091917

Frequently Asked Questions

What is the IUPAC name of [3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of [3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone (CID 110252448) is [3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for [3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for [3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone is COc1cccc(OC)c1C(=O)N1CCCC(c2cc(-c3ccc(N)nc3)cc(C)n2)C1.
What is the InChIKey of [3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone?
The InChIKey is QTWLIAIMHDMUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-16-12-19(17-9-10-23(26)27-14-17)13-20(28-16)18-6-5-11-29(15-18)25(30)24-21(31-2)7-4-8-22(24)32-3/h4,7-10,12-14,18H,5-6,11,15H2,1-3H3,(H2,26,27).
What are the key properties of [3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone?
[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone has a molecular weight of 432.52 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 110252448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).