1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid

C19H19ClN2O5 — CID 120528245

IUPAC1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C19H19ClN2O5/c20-15-4-2-1-3-13(15)11-22-12-14(5-6-16(22)23)17(24)21-9-7-19(27,8-10-21)18(25)26/h1-6,12,27H,7-11H2,(H,25,26)
InChIKeySMQFXVUXETZIBA-UHFFFAOYSA-N
MW390.82 g/mol
LogP1.60
Rot. Bonds4

About 1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid

1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 120528245) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is 1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
PubChem CID120528245
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Name1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
SMILESO=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C19H19ClN2O5/c20-15-4-2-1-3-13(15)11-22-12-14(5-6-16(22)23)17(24)21-9-7-19(27,8-10-21)18(25)26/h1-6,12,27H,7-11H2,(H,25,26)
InChIKeySMQFXVUXETZIBA-UHFFFAOYSA-N
XLogP1.60
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide
CID 24550444
(3S,4S)-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953492
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one
CID 119469651
1-[(2-chlorophenyl)methyl]-5-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyridin-2-one
CID 112803701
1-[(2-chlorophenyl)methyl]-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridin-2-one
CID 112813442
1-[(2-chlorophenyl)methyl]-N-methyl-N-(1-methylcyclobutyl)-6-oxopyridine-3-carboxamide
CID 166315489
1-[(2-chlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide
CID 24559383
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 16573910
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991
1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251452
3-[[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-cyclopropylamino]-2-methylpropanoic acid
CID 120535358

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid (CID 120528245) is 1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid is O=C(c1ccc(=O)n(Cc2ccccc2Cl)c1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is SMQFXVUXETZIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c20-15-4-2-1-3-13(15)11-22-12-14(5-6-16(22)23)17(24)21-9-7-19(27,8-10-21)18(25)26/h1-6,12,27H,7-11H2,(H,25,26).
What are the key properties of 1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid?
1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 390.82 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 120528245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).