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

C21H24F2N4O2 — CID 166541706

IUPAC1-(3,5-difluorophenyl)-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]-3-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(C)c1cc(CNC(=O)C2(C)CC(=O)N(c3cc(F)cc(F)c3)C2)ccn1
InChIInChI=1S/C21H24F2N4O2/c1-4-26(3)18-7-14(5-6-24-18)12-25-20(29)21(2)11-19(28)27(13-21)17-9-15(22)8-16(23)10-17/h5-10H,4,11-13H2,1-3H3,(H,25,29)
InChIKeyVZQDNTQXQXFHHT-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.88
Rot. Bonds6

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

1-(3,5-difluorophenyl)-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]-3-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 166541706) has the molecular formula C21H24F2N4O2 and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]-3-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]-3-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID166541706
Molecular FormulaC21H24F2N4O2
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name1-(3,5-difluorophenyl)-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]-3-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(C)c1cc(CNC(=O)C2(C)CC(=O)N(c3cc(F)cc(F)c3)C2)ccn1
InChIInChI=1S/C21H24F2N4O2/c1-4-26(3)18-7-14(5-6-24-18)12-25-20(29)21(2)11-19(28)27(13-21)17-9-15(22)8-16(23)10-17/h5-10H,4,11-13H2,1-3H3,(H,25,29)
InChIKeyVZQDNTQXQXFHHT-UHFFFAOYSA-N
XLogP2.88
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]-3-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]-3-methyl-5-oxopyrrolidine-3-carboxamide (CID 166541706) is 1-(3,5-difluorophenyl)-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]-3-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]-3-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]-3-methyl-5-oxopyrrolidine-3-carboxamide is CCN(C)c1cc(CNC(=O)C2(C)CC(=O)N(c3cc(F)cc(F)c3)C2)ccn1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]-3-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VZQDNTQXQXFHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O2/c1-4-26(3)18-7-14(5-6-24-18)12-25-20(29)21(2)11-19(28)27(13-21)17-9-15(22)8-16(23)10-17/h5-10H,4,11-13H2,1-3H3,(H,25,29).
What are the key properties of 1-(3,5-difluorophenyl)-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]-3-methyl-5-oxopyrrolidine-3-carboxamide?
1-(3,5-difluorophenyl)-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]-3-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]-3-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166541706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).