1-[[1-[6-[methyl(2-methylprop-2-enyl)amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one

C21H30N4O2 — CID 29027691

IUPAC1-[[1-[6-[methyl(2-methylprop-2-enyl)amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESC=C(C)CN(C)c1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1
InChIInChI=1S/C21H30N4O2/c1-16(2)14-23(3)19-7-6-18(13-22-19)21(27)24-11-8-17(9-12-24)15-25-10-4-5-20(25)26/h6-7,13,17H,1,4-5,8-12,14-15H2,2-3H3
InChIKeyVJEMDLUYOLCZLN-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.57
Rot. Bonds6

About 1-[[1-[6-[methyl(2-methylprop-2-enyl)amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one

1-[[1-[6-[methyl(2-methylprop-2-enyl)amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 29027691) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[[1-[6-[methyl(2-methylprop-2-enyl)amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[6-[methyl(2-methylprop-2-enyl)amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID29027691
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-[[1-[6-[methyl(2-methylprop-2-enyl)amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESC=C(C)CN(C)c1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1
InChIInChI=1S/C21H30N4O2/c1-16(2)14-23(3)19-7-6-18(13-22-19)21(27)24-11-8-17(9-12-24)15-25-10-4-5-20(25)26/h6-7,13,17H,1,4-5,8-12,14-15H2,2-3H3
InChIKeyVJEMDLUYOLCZLN-UHFFFAOYSA-N
XLogP2.57
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[[1-[6-[methyl(2-methylprop-2-enyl)amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

[3-(methoxymethyl)piperidin-1-yl]-[6-[methyl(2-methylprop-2-enyl)amino]-3-pyridinyl]methanone
CID 45231295
1-[[1-[6-[[(1R)-1-cyclopropylethyl]amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 26410765
1-[[1-[6-(1-hydroxypropan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 56877304
1-[[1-[6-(4-hydroxybutan-2-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 56869114
1-[[1-[6-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 95563832
1-[[1-[6-[[(2S)-1-methoxybutan-2-yl]amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 95205069
3-[[5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide
CID 56751758
1-[[1-[6-(piperidin-3-ylamino)pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 56745113
4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119185875
[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56746243
5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126786973
2-[4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]phenoxy]acetamide
CID 119136022

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[6-[methyl(2-methylprop-2-enyl)amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[6-[methyl(2-methylprop-2-enyl)amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one (CID 29027691) is 1-[[1-[6-[methyl(2-methylprop-2-enyl)amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[6-[methyl(2-methylprop-2-enyl)amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[6-[methyl(2-methylprop-2-enyl)amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one is C=C(C)CN(C)c1ccc(C(=O)N2CCC(CN3CCCC3=O)CC2)cn1.
What is the InChIKey of 1-[[1-[6-[methyl(2-methylprop-2-enyl)amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is VJEMDLUYOLCZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-16(2)14-23(3)19-7-6-18(13-22-19)21(27)24-11-8-17(9-12-24)15-25-10-4-5-20(25)26/h6-7,13,17H,1,4-5,8-12,14-15H2,2-3H3.
What are the key properties of 1-[[1-[6-[methyl(2-methylprop-2-enyl)amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[6-[methyl(2-methylprop-2-enyl)amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 370.50 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[6-[methyl(2-methylprop-2-enyl)amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 29027691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).