2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide

C11H14Cl2N2O2 — CID 114918020

IUPAC2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
SMILESCOCC(C)N(C)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-7(6-17-3)15(2)11(16)8-4-10(13)14-5-9(8)12/h4-5,7H,6H2,1-3H3
InChIKeyKRUZYITUJUISPM-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.50
Rot. Bonds4

About 2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide

2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide (PubChem CID 114918020) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
PubChem CID114918020
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
SMILESCOCC(C)N(C)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-7(6-17-3)15(2)11(16)8-4-10(13)14-5-9(8)12/h4-5,7H,6H2,1-3H3
InChIKeyKRUZYITUJUISPM-UHFFFAOYSA-N
XLogP2.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.50
H-Bond Donors ≤ 50
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-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 106501519
2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide
CID 51891752
2,6-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 60794728
2,5-dichloro-N-methyl-N-(1-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 114917924
2-methoxyethyl 2,5-dichloropyridine-4-carboxylate
CID 114929181
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917935
4,6-dichloro-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 134210113
3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 81443332
5-bromo-2-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 62236996
2-(2,5-dichloropyridine-4-carbonyl)butanoic acid
CID 89312309
2,5-dichloro-N-[(3-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114917457
5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 114921827

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide (CID 114918020) is 2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide is COCC(C)N(C)C(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide?
The InChIKey is KRUZYITUJUISPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-7(6-17-3)15(2)11(16)8-4-10(13)14-5-9(8)12/h4-5,7H,6H2,1-3H3.
What are the key properties of 2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide?
2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide has a molecular weight of 277.15 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 114918020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).