N-(5-fluoro-6-methyl-2-pyridinyl)-N-methyl-5-oxopyrrolidine-2-carboxamide

C12H14FN3O2 — CID 165157727

IUPACN-(5-fluoro-6-methyl-2-pyridinyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1nc(N(C)C(=O)C2CCC(=O)N2)ccc1F
InChIInChI=1S/C12H14FN3O2/c1-7-8(13)3-5-10(14-7)16(2)12(18)9-4-6-11(17)15-9/h3,5,9H,4,6H2,1-2H3,(H,15,17)
InChIKeyYEQLSUOXKFAAIJ-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.77
Rot. Bonds2

About N-(5-fluoro-6-methyl-2-pyridinyl)-N-methyl-5-oxopyrrolidine-2-carboxamide

N-(5-fluoro-6-methyl-2-pyridinyl)-N-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 165157727) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is N-(5-fluoro-6-methyl-2-pyridinyl)-N-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-6-methyl-2-pyridinyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID165157727
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC NameN-(5-fluoro-6-methyl-2-pyridinyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1nc(N(C)C(=O)C2CCC(=O)N2)ccc1F
InChIInChI=1S/C12H14FN3O2/c1-7-8(13)3-5-10(14-7)16(2)12(18)9-4-6-11(17)15-9/h3,5,9H,4,6H2,1-2H3,(H,15,17)
InChIKeyYEQLSUOXKFAAIJ-UHFFFAOYSA-N
XLogP0.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3197446
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CID 145970218
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CID 70980168
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CID 70982189
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CID 18564399
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CID 53595248
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CID 53603529
CID 53603529
CID 71984206
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CID 164610328
CID 164610328

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-6-methyl-2-pyridinyl)-N-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(5-fluoro-6-methyl-2-pyridinyl)-N-methyl-5-oxopyrrolidine-2-carboxamide (CID 165157727) is N-(5-fluoro-6-methyl-2-pyridinyl)-N-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-6-methyl-2-pyridinyl)-N-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-fluoro-6-methyl-2-pyridinyl)-N-methyl-5-oxopyrrolidine-2-carboxamide is Cc1nc(N(C)C(=O)C2CCC(=O)N2)ccc1F.
What is the InChIKey of N-(5-fluoro-6-methyl-2-pyridinyl)-N-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is YEQLSUOXKFAAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-7-8(13)3-5-10(14-7)16(2)12(18)9-4-6-11(17)15-9/h3,5,9H,4,6H2,1-2H3,(H,15,17).
What are the key properties of N-(5-fluoro-6-methyl-2-pyridinyl)-N-methyl-5-oxopyrrolidine-2-carboxamide?
N-(5-fluoro-6-methyl-2-pyridinyl)-N-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 251.26 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-6-methyl-2-pyridinyl)-N-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 165157727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).