1-[2-(dimethylamino)ethyl]-N-[(4-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide

C16H24N4O2 — CID 72861647

IUPAC1-[2-(dimethylamino)ethyl]-N-[(4-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccnc(CNC(=O)C2CC(=O)N(CCN(C)C)C2)c1
InChIInChI=1S/C16H24N4O2/c1-12-4-5-17-14(8-12)10-18-16(22)13-9-15(21)20(11-13)7-6-19(2)3/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,18,22)
InChIKeyGWMRSWYBCTXEDN-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.42
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-[2-(dimethylamino)ethyl]-N-[(4-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 72861647) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-[(4-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID72861647
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[2-(dimethylamino)ethyl]-N-[(4-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccnc(CNC(=O)C2CC(=O)N(CCN(C)C)C2)c1
InChIInChI=1S/C16H24N4O2/c1-12-4-5-17-14(8-12)10-18-16(22)13-9-15(21)20(11-13)7-6-19(2)3/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,18,22)
InChIKeyGWMRSWYBCTXEDN-UHFFFAOYSA-N
XLogP0.42
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 72861647) is 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccnc(CNC(=O)C2CC(=O)N(CCN(C)C)C2)c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GWMRSWYBCTXEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12-4-5-17-14(8-12)10-18-16(22)13-9-15(21)20(11-13)7-6-19(2)3/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,18,22).
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-[(4-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-[(4-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 72861647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).