2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone

C22H30N4O2 — CID 110088939

IUPAC2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCOc1cccc(Nc2cc(C)nc(C3CCCN(C(=O)CN(C)C)C3)c2)c1
InChIInChI=1S/C22H30N4O2/c1-16-11-19(24-18-8-5-9-20(12-18)28-4)13-21(23-16)17-7-6-10-26(14-17)22(27)15-25(2)3/h5,8-9,11-13,17H,6-7,10,14-15H2,1-4H3,(H,23,24)
InChIKeyQSGDLINDPLXMRP-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.41
Rot. Bonds6

About 2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone

2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 110088939) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID110088939
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCOc1cccc(Nc2cc(C)nc(C3CCCN(C(=O)CN(C)C)C3)c2)c1
InChIInChI=1S/C22H30N4O2/c1-16-11-19(24-18-8-5-9-20(12-18)28-4)13-21(23-16)17-7-6-10-26(14-17)22(27)15-25(2)3/h5,8-9,11-13,17H,6-7,10,14-15H2,1-4H3,(H,23,24)
InChIKeyQSGDLINDPLXMRP-UHFFFAOYSA-N
XLogP3.41
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110088942
(2,6-dimethoxyphenyl)-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110130260
[(3R)-3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 125026598
1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one
CID 110088969
N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide
CID 110088970
2-(dimethylamino)-1-[(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810457
3-chloro-1-[3-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 175661425
2-(dimethylamino)-1-[3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110252918
[(3S)-3-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971390
N-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 125020442
1-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110264963
2,3-dihydro-1,4-benzodioxin-6-yl-[(3R)-3-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124988539

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone (CID 110088939) is 2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone is COc1cccc(Nc2cc(C)nc(C3CCCN(C(=O)CN(C)C)C3)c2)c1.
What is the InChIKey of 2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is QSGDLINDPLXMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16-11-19(24-18-8-5-9-20(12-18)28-4)13-21(23-16)17-7-6-10-26(14-17)22(27)15-25(2)3/h5,8-9,11-13,17H,6-7,10,14-15H2,1-4H3,(H,23,24).
What are the key properties of 2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone?
2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 382.51 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110088939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).