2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide

C14H21Cl2N3O — CID 114917935

IUPAC2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)CN(CCN(C)C)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-10(2)9-19(6-5-18(3)4)14(20)11-7-13(16)17-8-12(11)15/h7-8,10H,5-6,9H2,1-4H3
InChIKeySDUZSNCFIRTZIZ-UHFFFAOYSA-N
MW318.25 g/mol
LogP3.05
Rot. Bonds6

About 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide

2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide (PubChem CID 114917935) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
PubChem CID114917935
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)CN(CCN(C)C)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-10(2)9-19(6-5-18(3)4)14(20)11-7-13(16)17-8-12(11)15/h7-8,10H,5-6,9H2,1-4H3
InChIKeySDUZSNCFIRTZIZ-UHFFFAOYSA-N
XLogP3.05
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.05
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

2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917914
2-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61053425
2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922590
2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62160177
2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61115159
5-chloro-N-(2-cyanoethyl)-2-(methylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922574
2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 114917074
5-bromo-N-[2-(dimethylamino)ethyl]-2-(methylamino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62179231
2,5-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 114918020
2-amino-5-chloro-N-methyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922159
2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide
CID 114918763
N-[2-(dimethylamino)ethyl]-3-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 115646478

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide (CID 114917935) is 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide is CC(C)CN(CCN(C)C)C(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is SDUZSNCFIRTZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O/c1-10(2)9-19(6-5-18(3)4)14(20)11-7-13(16)17-8-12(11)15/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide?
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 318.25 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114917935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).