1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one

C24H30N4O3 — CID 110088969

IUPAC1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one
SMILESCOc1cccc(Nc2cc(C)nc(C3CCCN(CC(=O)N4CCCC4=O)C3)c2)c1
InChIInChI=1S/C24H30N4O3/c1-17-12-20(26-19-7-3-8-21(13-19)31-2)14-22(25-17)18-6-4-10-27(15-18)16-24(30)28-11-5-9-23(28)29/h3,7-8,12-14,18H,4-6,9-11,15-16H2,1-2H3,(H,25,26)
InChIKeySRAKYJMOUAZRQF-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.47
Rot. Bonds6

About 1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one

1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one (PubChem CID 110088969) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one
PubChem CID110088969
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one
SMILESCOc1cccc(Nc2cc(C)nc(C3CCCN(CC(=O)N4CCCC4=O)C3)c2)c1
InChIInChI=1S/C24H30N4O3/c1-17-12-20(26-19-7-3-8-21(13-19)31-2)14-22(25-17)18-6-4-10-27(15-18)16-24(30)28-11-5-9-23(28)29/h3,7-8,12-14,18H,4-6,9-11,15-16H2,1-2H3,(H,25,26)
InChIKeySRAKYJMOUAZRQF-UHFFFAOYSA-N
XLogP3.47
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one with MolForge

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Related Compounds

2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 110088939
1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110088942
N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide
CID 110088970
(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-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110264924
2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide
CID 110095008
1-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110264963
N-(3-methoxyphenyl)-2-methyl-6-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 125020442
1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 155983027
N-(3-methoxyphenyl)-2-[(3R)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]acetamide
CID 95560043
N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110264925

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one (CID 110088969) is 1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one is COc1cccc(Nc2cc(C)nc(C3CCCN(CC(=O)N4CCCC4=O)C3)c2)c1.
What is the InChIKey of 1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one?
The InChIKey is SRAKYJMOUAZRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-17-12-20(26-19-7-3-8-21(13-19)31-2)14-22(25-17)18-6-4-10-27(15-18)16-24(30)28-11-5-9-23(28)29/h3,7-8,12-14,18H,4-6,9-11,15-16H2,1-2H3,(H,25,26).
What are the key properties of 1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one?
1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one has a molecular weight of 422.53 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one is sourced from PubChem (CID 110088969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).