5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide

C18H18FN3O3 — CID 126648792

IUPAC5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C18H18FN3O3/c1-20-17(24)15-8-12(16(23)21-14-6-7-14)10-22(18(15)25)9-11-2-4-13(19)5-3-11/h2-5,8,10,14H,6-7,9H2,1H3,(H,20,24)(H,21,23)
InChIKeyDEWOJTIPOJTWSF-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.29
Rot. Bonds5

About 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide

5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (PubChem CID 126648792) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
PubChem CID126648792
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CC2)cn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C18H18FN3O3/c1-20-17(24)15-8-12(16(23)21-14-6-7-14)10-22(18(15)25)9-11-2-4-13(19)5-3-11/h2-5,8,10,14H,6-7,9H2,1H3,(H,20,24)(H,21,23)
InChIKeyDEWOJTIPOJTWSF-UHFFFAOYSA-N
XLogP1.29
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (CID 126648792) is 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CC2)cn(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is DEWOJTIPOJTWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-20-17(24)15-8-12(16(23)21-14-6-7-14)10-22(18(15)25)9-11-2-4-13(19)5-3-11/h2-5,8,10,14H,6-7,9H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 343.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 126648792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).