N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C12H19N3O2 — CID 167940434

IUPACN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC=C(CNC(=O)C2CNC(=O)C2)CC1
InChIInChI=1S/C12H19N3O2/c1-15-4-2-9(3-5-15)7-14-12(17)10-6-11(16)13-8-10/h2,10H,3-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyBIOQRQOVSXOHTN-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.50
Rot. Bonds3

About N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 167940434) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID167940434
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC=C(CNC(=O)C2CNC(=O)C2)CC1
InChIInChI=1S/C12H19N3O2/c1-15-4-2-9(3-5-15)7-14-12(17)10-6-11(16)13-8-10/h2,10H,3-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyBIOQRQOVSXOHTN-UHFFFAOYSA-N
XLogP-0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78983059
1-(4-fluorophenyl)-N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 136520684
5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78983445
5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78982237
N-[3-(dimethylamino)-3-oxopropyl]-5-oxopyrrolidine-3-carboxamide
CID 78983149
N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78981486
N-[2-(cyclopenten-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 103842213
5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 78983105
N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223533
methyl 4-[[(5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoate
CID 78981862
N-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 113228049
N-[(6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78983299

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 167940434) is N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is CN1CC=C(CNC(=O)C2CNC(=O)C2)CC1.
What is the InChIKey of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BIOQRQOVSXOHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15-4-2-9(3-5-15)7-14-12(17)10-6-11(16)13-8-10/h2,10H,3-8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 167940434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).