N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide

C11H13Cl2N3O2 — CID 113226390

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide
SMILESCC(C)(CNC(=O)c1cnc(Cl)c(Cl)c1)C(N)=O
InChIInChI=1S/C11H13Cl2N3O2/c1-11(2,10(14)18)5-16-9(17)6-3-7(12)8(13)15-4-6/h3-4H,5H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyUJOIABZKFXWBCJ-UHFFFAOYSA-N
MW290.15 g/mol
LogP1.63
Rot. Bonds4

About N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide (PubChem CID 113226390) has the molecular formula C11H13Cl2N3O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide
PubChem CID113226390
Molecular FormulaC11H13Cl2N3O2
Molecular Weight290.15 g/mol
Exact Mass289.04
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide
SMILESCC(C)(CNC(=O)c1cnc(Cl)c(Cl)c1)C(N)=O
InChIInChI=1S/C11H13Cl2N3O2/c1-11(2,10(14)18)5-16-9(17)6-3-7(12)8(13)15-4-6/h3-4H,5H2,1-2H3,(H2,14,18)(H,16,17)
InChIKeyUJOIABZKFXWBCJ-UHFFFAOYSA-N
XLogP1.63
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 51.63
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

N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 106280091
5,6-dichloro-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 60748585
5,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 113239579
N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 78995207
5,6-dichloro-N-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide
CID 82723834
5,6-dichloro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 115746097
6-amino-5-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridine-3-carboxamide
CID 79555286
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 106276058
5,6-dichloro-N-methoxypyridine-3-carboxamide;ethane
CID 143700585
5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 61367940
N-(2-bromoprop-2-enyl)-5,6-dichloropyridine-3-carboxamide
CID 47439184
5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964074

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide (CID 113226390) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide is CC(C)(CNC(=O)c1cnc(Cl)c(Cl)c1)C(N)=O.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide?
The InChIKey is UJOIABZKFXWBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O2/c1-11(2,10(14)18)5-16-9(17)6-3-7(12)8(13)15-4-6/h3-4H,5H2,1-2H3,(H2,14,18)(H,16,17).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide has a molecular weight of 290.15 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 113226390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).