3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid

C10H10Cl2N2O3 — CID 103602717

IUPAC3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C10H10Cl2N2O3/c1-5(2-9(15)16)13-10(17)6-3-7(11)14-8(12)4-6/h3-5H,2H2,1H3,(H,13,17)(H,15,16)
InChIKeyVQGXTSVEBLSKSG-UHFFFAOYSA-N
MW277.11 g/mol
LogP1.98
Rot. Bonds4

About 3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid

3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid (PubChem CID 103602717) has the molecular formula C10H10Cl2N2O3 and a molecular weight of 277.11 g/mol. Its IUPAC name is 3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid
PubChem CID103602717
Molecular FormulaC10H10Cl2N2O3
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Name3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C10H10Cl2N2O3/c1-5(2-9(15)16)13-10(17)6-3-7(11)14-8(12)4-6/h3-5H,2H2,1H3,(H,13,17)(H,15,16)
InChIKeyVQGXTSVEBLSKSG-UHFFFAOYSA-N
XLogP1.98
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 51.98
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

2,6-dichloro-N-pent-4-yn-2-ylpyridine-4-carboxamide
CID 115661799
2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide
CID 62155359
2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 61150801
2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide
CID 139899503
2-chloro-6-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 62169675
2,6-dichloro-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 60659620
2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 62185813
2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide
CID 62200290
2,6-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103801255
2-chloro-6-ethyl-N-(4-methylsulfinylbutan-2-yl)pyridine-4-carboxamide
CID 113493444
2-chloro-6-hydrazinyl-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 62242233
3-[(3,4-dimethylbenzoyl)amino]butanoic acid
CID 18370046

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid (CID 103602717) is 3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid?
The InChIKey is VQGXTSVEBLSKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O3/c1-5(2-9(15)16)13-10(17)6-3-7(11)14-8(12)4-6/h3-5H,2H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid?
3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid has a molecular weight of 277.11 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichloropyridine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 103602717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).