4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid

C24H29FN4O5 — CID 126721258

IUPAC4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)NCCCC2CCN(C(=O)O)CC2)cn(Cc2ccccc2F)c1=O
InChIInChI=1S/C24H29FN4O5/c1-26-22(31)19-13-18(15-29(23(19)32)14-17-6-2-3-7-20(17)25)21(30)27-10-4-5-16-8-11-28(12-9-16)24(33)34/h2-3,6-7,13,15-16H,4-5,8-12,14H2,1H3,(H,26,31)(H,27,30)(H,33,34)
InChIKeyPJRRFBOACTUSAK-UHFFFAOYSA-N
MW472.52 g/mol
LogP2.30
Rot. Bonds8

About 4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid

4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid (PubChem CID 126721258) has the molecular formula C24H29FN4O5 and a molecular weight of 472.52 g/mol. Its IUPAC name is 4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid
PubChem CID126721258
Molecular FormulaC24H29FN4O5
Molecular Weight472.52 g/mol
Exact Mass472.21
IUPAC Name4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)NCCCC2CCN(C(=O)O)CC2)cn(Cc2ccccc2F)c1=O
InChIInChI=1S/C24H29FN4O5/c1-26-22(31)19-13-18(15-29(23(19)32)14-17-6-2-3-7-20(17)25)21(30)27-10-4-5-16-8-11-28(12-9-16)24(33)34/h2-3,6-7,13,15-16H,4-5,8-12,14H2,1H3,(H,26,31)(H,27,30)(H,33,34)
InChIKeyPJRRFBOACTUSAK-UHFFFAOYSA-N
XLogP2.30
TPSA120.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide
CID 126721311
1-benzyl-5-N-[3-[1-(2-fluoroethyl)piperidin-4-yl]propyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126739590
tert-butyl 4-[5-[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxo-3-pyridinyl]-5-oxopentyl]piperidine-1-carboxylate
CID 146732787
5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 145279448
1-[(2-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676266
5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 148828457
3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propylcarbamic acid
CID 135341859
1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide
CID 163805471
1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide
CID 159534697
1-benzyl-3-N-methyl-2-oxo-5-N-(3-piperidin-1-ylpropyl)pyridine-3,5-dicarboxamide
CID 126721294
tert-butyl 2-[3-[[1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]morpholine-4-carboxylate
CID 126721219
1-benzyl-5-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126721346

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid (CID 126721258) is 4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid is CNC(=O)c1cc(C(=O)NCCCC2CCN(C(=O)O)CC2)cn(Cc2ccccc2F)c1=O.
What is the InChIKey of 4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid?
The InChIKey is PJRRFBOACTUSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O5/c1-26-22(31)19-13-18(15-29(23(19)32)14-17-6-2-3-7-20(17)25)21(30)27-10-4-5-16-8-11-28(12-9-16)24(33)34/h2-3,6-7,13,15-16H,4-5,8-12,14H2,1H3,(H,26,31)(H,27,30)(H,33,34).
What are the key properties of 4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid?
4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid has a molecular weight of 472.52 g/mol, XLogP of 2.30, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[1-[(2-fluorophenyl)methyl]-5-(methylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]propyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 126721258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).