1-[(3-fluorophenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide

C20H21FN2O3 — CID 157334852

IUPAC1-[(3-fluorophenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)C[C@@H]2C[C@H]2C)cn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C20H21FN2O3/c1-12-6-14(12)9-18(24)15-8-17(19(25)22-2)20(26)23(11-15)10-13-4-3-5-16(21)7-13/h3-5,7-8,11-12,14H,6,9-10H2,1-2H3,(H,22,25)/t12-,14+/m1/s1
InChIKeyBFSKKAVSQNXLTF-OCCSQVGLSA-N
MW356.40 g/mol
LogP2.62
Rot. Bonds6

About 1-[(3-fluorophenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide

1-[(3-fluorophenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide (PubChem CID 157334852) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide
PubChem CID157334852
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name1-[(3-fluorophenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)C[C@@H]2C[C@H]2C)cn(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C20H21FN2O3/c1-12-6-14(12)9-18(24)15-8-17(19(25)22-2)20(26)23(11-15)10-13-4-3-5-16(21)7-13/h3-5,7-8,11-12,14H,6,9-10H2,1-2H3,(H,22,25)/t12-,14+/m1/s1
InChIKeyBFSKKAVSQNXLTF-OCCSQVGLSA-N
XLogP2.62
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide (CID 157334852) is 1-[(3-fluorophenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)C[C@@H]2C[C@H]2C)cn(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide?
The InChIKey is BFSKKAVSQNXLTF-OCCSQVGLSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-12-6-14(12)9-18(24)15-8-17(19(25)22-2)20(26)23(11-15)10-13-4-3-5-16(21)7-13/h3-5,7-8,11-12,14H,6,9-10H2,1-2H3,(H,22,25)/t12-,14+/m1/s1.
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide?
1-[(3-fluorophenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-methyl-5-[2-[(1S,2R)-2-methylcyclopropyl]acetyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 157334852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).