3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

C20H25N3O2 — CID 75375735

IUPAC3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCC(N(C)Cc3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C20H25N3O2/c1-14-11-15(2)21-19(24)18(14)20(25)23-10-9-17(13-23)22(3)12-16-7-5-4-6-8-16/h4-8,11,17H,9-10,12-13H2,1-3H3,(H,21,24)
InChIKeyDZLLAYPRTLNSAD-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.34
Rot. Bonds4

About 3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 75375735) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID75375735
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCC(N(C)Cc3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C20H25N3O2/c1-14-11-15(2)21-19(24)18(14)20(25)23-10-9-17(13-23)22(3)12-16-7-5-4-6-8-16/h4-8,11,17H,9-10,12-13H2,1-3H3,(H,21,24)
InChIKeyDZLLAYPRTLNSAD-UHFFFAOYSA-N
XLogP2.34
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 163306352
5-[3-[benzyl(methyl)amino]piperidine-1-carbonyl]-4,6-dimethylpyran-2-one
CID 45217908
4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid
CID 56705242
2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
CID 62691283
2-[acetyl-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]amino]acetic acid
CID 120606347
7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 155953985
3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
CID 166199217
3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 134703735
1-[4-[benzyl(methyl)amino]piperidin-1-yl]-2-chloroethanone
CID 66567050
(3S)-3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 164631598
3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 136531482
2-(dimethylamino)-4-[[methyl-[1-(4-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
CID 137218308

Frequently Asked Questions

What is the IUPAC name of 3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (CID 75375735) is 3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(C(=O)N2CCC(N(C)Cc3ccccc3)C2)c(=O)[nH]1.
What is the InChIKey of 3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is DZLLAYPRTLNSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-11-15(2)21-19(24)18(14)20(25)23-10-9-17(13-23)22(3)12-16-7-5-4-6-8-16/h4-8,11,17H,9-10,12-13H2,1-3H3,(H,21,24).
What are the key properties of 3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 75375735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).