N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide

C14H22N4O2 — CID 72911145

IUPACN-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCC1CCN(CC(=O)N(C)CCc2cnn(C)c2)C1=O
InChIInChI=1S/C14H22N4O2/c1-11-4-7-18(14(11)20)10-13(19)16(2)6-5-12-8-15-17(3)9-12/h8-9,11H,4-7,10H2,1-3H3
InChIKeyORYFDXYVHCNWIF-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.29
Rot. Bonds5

About N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide

N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide (PubChem CID 72911145) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
PubChem CID72911145
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCC1CCN(CC(=O)N(C)CCc2cnn(C)c2)C1=O
InChIInChI=1S/C14H22N4O2/c1-11-4-7-18(14(11)20)10-13(19)16(2)6-5-12-8-15-17(3)9-12/h8-9,11H,4-7,10H2,1-3H3
InChIKeyORYFDXYVHCNWIF-UHFFFAOYSA-N
XLogP0.29
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide (CID 72911145) is N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide is CC1CCN(CC(=O)N(C)CCc2cnn(C)c2)C1=O.
What is the InChIKey of N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is ORYFDXYVHCNWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-4-7-18(14(11)20)10-13(19)16(2)6-5-12-8-15-17(3)9-12/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 278.36 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 72911145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).