2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide

C14H19Cl2N3O2 — CID 114917725

IUPAC2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
SMILESCC(C)CC(NC(=O)c1cc(Cl)ncc1Cl)C(=O)N(C)C
InChIInChI=1S/C14H19Cl2N3O2/c1-8(2)5-11(14(21)19(3)4)18-13(20)9-6-12(16)17-7-10(9)15/h6-8,11H,5H2,1-4H3,(H,18,20)
InChIKeyDPYYIBHXOFWOFY-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.62
Rot. Bonds5

About 2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide

2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide (PubChem CID 114917725) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
PubChem CID114917725
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC Name2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
SMILESCC(C)CC(NC(=O)c1cc(Cl)ncc1Cl)C(=O)N(C)C
InChIInChI=1S/C14H19Cl2N3O2/c1-8(2)5-11(14(21)19(3)4)18-13(20)9-6-12(16)17-7-10(9)15/h6-8,11H,5H2,1-4H3,(H,18,20)
InChIKeyDPYYIBHXOFWOFY-UHFFFAOYSA-N
XLogP2.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 51891718
2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 114918896
2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 103763940
(2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 114036881
2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 114918873
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 47101431
(2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 114037237
(2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-N,N,4-trimethylpentanamide
CID 51957415
2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 114922209
N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-2-(methylamino)benzamide
CID 61376513
2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114918317
5-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)pyridine-4-carboxamide
CID 114922690

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide (CID 114917725) is 2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide is CC(C)CC(NC(=O)c1cc(Cl)ncc1Cl)C(=O)N(C)C.
What is the InChIKey of 2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?
The InChIKey is DPYYIBHXOFWOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2/c1-8(2)5-11(14(21)19(3)4)18-13(20)9-6-12(16)17-7-10(9)15/h6-8,11H,5H2,1-4H3,(H,18,20).
What are the key properties of 2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?
2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide has a molecular weight of 332.23 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 114917725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).