2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid

C17H16Cl2N4O4 — CID 178146520

IUPAC2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(NC(=O)c3cc(Cl)cc(Cl)c3O)CC2)nc1
InChIInChI=1S/C17H16Cl2N4O4/c18-10-5-12(14(24)13(19)6-10)15(25)22-11-1-3-23(4-2-11)17-20-7-9(8-21-17)16(26)27/h5-8,11,24H,1-4H2,(H,22,25)(H,26,27)
InChIKeyCQKRJBQCQVDEES-UHFFFAOYSA-N
MW411.25 g/mol
LogP2.59
Rot. Bonds4

About 2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid

2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid (PubChem CID 178146520) has the molecular formula C17H16Cl2N4O4 and a molecular weight of 411.25 g/mol. Its IUPAC name is 2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
PubChem CID178146520
Molecular FormulaC17H16Cl2N4O4
Molecular Weight411.25 g/mol
Exact Mass410.05
IUPAC Name2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(NC(=O)c3cc(Cl)cc(Cl)c3O)CC2)nc1
InChIInChI=1S/C17H16Cl2N4O4/c18-10-5-12(14(24)13(19)6-10)15(25)22-11-1-3-23(4-2-11)17-20-7-9(8-21-17)16(26)27/h5-8,11,24H,1-4H2,(H,22,25)(H,26,27)
InChIKeyCQKRJBQCQVDEES-UHFFFAOYSA-N
XLogP2.59
TPSA115.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.25
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-2-hydroxy-N-[1-(9-methylpurin-2-yl)piperidin-4-yl]benzamide
CID 178146534
3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide
CID 72547632
3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide
CID 144738035
3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide
CID 144738541
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648718
3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide
CID 178146238
2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid
CID 53415565
[(3R)-oxolan-3-yl] 4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidine-1-carboxylate
CID 178146528
3,5-dichloro-2-hydroxy-N-[(3S)-1-(6-oxo-1H-pyridin-3-yl)pyrrolidin-3-yl]benzamide;fluorobenzene
CID 144738137
3,5-dichloro-2-hydroxy-N-[(3S)-1-[3-[(E)-prop-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]benzamide;fluorobenzene
CID 144738243
N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250891
N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249567

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid (CID 178146520) is 2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid is O=C(O)c1cnc(N2CCC(NC(=O)c3cc(Cl)cc(Cl)c3O)CC2)nc1.
What is the InChIKey of 2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid?
The InChIKey is CQKRJBQCQVDEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O4/c18-10-5-12(14(24)13(19)6-10)15(25)22-11-1-3-23(4-2-11)17-20-7-9(8-21-17)16(26)27/h5-8,11,24H,1-4H2,(H,22,25)(H,26,27).
What are the key properties of 2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid?
2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid has a molecular weight of 411.25 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 178146520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).