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

C19H20FN3O4 — CID 126676131

IUPAC1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2CO)cn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C19H20FN3O4/c1-21-18(26)15-6-12(17(25)22-16-7-13(16)10-24)9-23(19(15)27)8-11-2-4-14(20)5-3-11/h2-6,9,13,16,24H,7-8,10H2,1H3,(H,21,26)(H,22,25)/t13-,16+/m1/s1
InChIKeyRCQLLTOYDZLQGH-CJNGLKHVSA-N
MW373.38 g/mol
LogP0.51
Rot. Bonds6

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

1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (PubChem CID 126676131) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
PubChem CID126676131
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2CO)cn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C19H20FN3O4/c1-21-18(26)15-6-12(17(25)22-16-7-13(16)10-24)9-23(19(15)27)8-11-2-4-14(20)5-3-11/h2-6,9,13,16,24H,7-8,10H2,1H3,(H,21,26)(H,22,25)/t13-,16+/m1/s1
InChIKeyRCQLLTOYDZLQGH-CJNGLKHVSA-N
XLogP0.51
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-fluoro-3-methylphenyl)methyl]-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676370
1-benzyl-3-N-methyl-2-oxo-5-N-[(1R,2R)-2-propylcyclopropyl]pyridine-3,5-dicarboxamide
CID 139538162
1-benzyl-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126675355
tert-butyl 2-[(1R,2S)-2-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]cyclopropyl]acetate
CID 139538195
5-N-[(2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676868
5-N-[(1S,2S)-2-ethoxycyclopropyl]-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126675277
1-benzyl-5-N-[(1R,2R)-2-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 139538101
1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 160864005
5-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648895
1-[[4-(2-aminoethoxy)phenyl]methyl]-3-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126676178
1-[(2-fluoro-3-methylphenyl)methyl]-3-N-methyl-5-N-[(1R,2R)-2-methylcyclopropyl]-2-oxopyridine-3,5-dicarboxamide
CID 126676368
5-N-cyclopropyl-3-N-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethyl)pyridine-3,5-dicarboxamide
CID 126648655

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (CID 126676131) is 1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)N[C@H]2C[C@@H]2CO)cn(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is RCQLLTOYDZLQGH-CJNGLKHVSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-21-18(26)15-6-12(17(25)22-16-7-13(16)10-24)9-23(19(15)27)8-11-2-4-14(20)5-3-11/h2-6,9,13,16,24H,7-8,10H2,1H3,(H,21,26)(H,22,25)/t13-,16+/m1/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 373.38 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 126676131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).