2,6-dichloro-N-cyclopropyl-N-ethylpyridine-4-carboxamide

C11H12Cl2N2O — CID 30125

IUPAC2,6-dichloro-N-cyclopropyl-N-ethylpyridine-4-carboxamide
SMILESCCN(C(=O)c1cc(Cl)nc(Cl)c1)C1CC1
InChIInChI=1S/C11H12Cl2N2O/c1-2-15(8-3-4-8)11(16)7-5-9(12)14-10(13)6-7/h5-6,8H,2-4H2,1H3
InChIKeyUAPVKLXMGJZRAV-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.01
Rot. Bonds3

About 2,6-dichloro-N-cyclopropyl-N-ethylpyridine-4-carboxamide

2,6-dichloro-N-cyclopropyl-N-ethylpyridine-4-carboxamide (PubChem CID 30125) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 2,6-dichloro-N-cyclopropyl-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-cyclopropyl-N-ethylpyridine-4-carboxamide
PubChem CID30125
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name2,6-dichloro-N-cyclopropyl-N-ethylpyridine-4-carboxamide
SMILESCCN(C(=O)c1cc(Cl)nc(Cl)c1)C1CC1
InChIInChI=1S/C11H12Cl2N2O/c1-2-15(8-3-4-8)11(16)7-5-9(12)14-10(13)6-7/h5-6,8H,2-4H2,1H3
InChIKeyUAPVKLXMGJZRAV-UHFFFAOYSA-N
XLogP3.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Isonicotinic acid, 2,6-dichloro-, isopropylidenehydrazide
CID 27511
N-[6-(benzylamino)hexyl]-2,6-dichloropyridine-4-carboxamide
CID 145958953
Morpholine, 4-(2,6-dichloroisonicotinoyl)-
CID 93806
2,6-Dichloroisonicotinamide
CID 2781802
Isonicotinic acid, 2,6-dichloro-, 1-methylhydrazide
CID 42564
Isonicotinohydroxamic acid, 2,6-dichloro-
CID 42572
(2,6-Dichloro-4-pyridinyl)-3-oxazolidinylmethanone
CID 93807
1H-Imidazole, 4,5-dihydro-1-((2,6-dichloro-4-pyridinyl)carbonyl)-2-methyl-
CID 3044880
2,6-Dichloro-isonicotinoyl chloride
CID 2781643
2-Chloro-N-isopropylisonicotinamide
CID 12026212
2-Chloro-6-methylpyridine-4-carboxamide
CID 59534429
N-benzyl-2,6-dichloro-N,4-dimethylpyridine-3-carboxamide
CID 707666

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-cyclopropyl-N-ethylpyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-cyclopropyl-N-ethylpyridine-4-carboxamide (CID 30125) is 2,6-dichloro-N-cyclopropyl-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-cyclopropyl-N-ethylpyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-cyclopropyl-N-ethylpyridine-4-carboxamide is CCN(C(=O)c1cc(Cl)nc(Cl)c1)C1CC1.
What is the InChIKey of 2,6-dichloro-N-cyclopropyl-N-ethylpyridine-4-carboxamide?
The InChIKey is UAPVKLXMGJZRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-2-15(8-3-4-8)11(16)7-5-9(12)14-10(13)6-7/h5-6,8H,2-4H2,1H3.
What are the key properties of 2,6-dichloro-N-cyclopropyl-N-ethylpyridine-4-carboxamide?
2,6-dichloro-N-cyclopropyl-N-ethylpyridine-4-carboxamide has a molecular weight of 259.14 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-cyclopropyl-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 30125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).