5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid

C12H14Cl2N2O3 — CID 82683416

IUPAC5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O3/c1-7(2-3-10(17)18)5-16-12(19)8-4-9(13)11(14)15-6-8/h4,6-7H,2-3,5H2,1H3,(H,16,19)(H,17,18)
InChIKeyDQOQXHXTUPJFJQ-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.62
Rot. Bonds6

About 5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid

5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 82683416) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
PubChem CID82683416
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Name5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O3/c1-7(2-3-10(17)18)5-16-12(19)8-4-9(13)11(14)15-6-8/h4,6-7H,2-3,5H2,1H3,(H,16,19)(H,17,18)
InChIKeyDQOQXHXTUPJFJQ-UHFFFAOYSA-N
XLogP2.62
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832892
5-[(5-bromo-2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037155
5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 115746097
5-[(5,6-dichloropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682536
5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037156
5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 49167384
5,6-dichloro-N-(2-ethylhexyl)pyridine-3-carboxamide
CID 55026773
5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid
CID 82009834
5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 107938301
4-methyl-5-(quinoxaline-6-carbonylamino)pentanoic acid
CID 82012991
5-[(5-chloro-2-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 82009047
5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79027668

Frequently Asked Questions

What is the IUPAC name of 5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid (CID 82683416) is 5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is DQOQXHXTUPJFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-7(2-3-10(17)18)5-16-12(19)8-4-9(13)11(14)15-6-8/h4,6-7H,2-3,5H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid?
5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 305.16 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82683416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).