2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide

C15H22Cl2N2O — CID 79483241

IUPAC2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-5-12(6-2)19(9-10(3)4)15(20)11-7-13(16)18-14(17)8-11/h7-8,10,12H,5-6,9H2,1-4H3
InChIKeyRVVFJRWPNNUCQI-UHFFFAOYSA-N
MW317.26 g/mol
LogP4.68
Rot. Bonds6

About 2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide

2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide (PubChem CID 79483241) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
PubChem CID79483241
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
SMILESCCC(CC)N(CC(C)C)C(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-5-12(6-2)19(9-10(3)4)15(20)11-7-13(16)18-14(17)8-11/h7-8,10,12H,5-6,9H2,1-4H3
InChIKeyRVVFJRWPNNUCQI-UHFFFAOYSA-N
XLogP4.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 54.68
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

2-chloro-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 79487727
2,6-dichloro-N-(2-methoxyethyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 60792617
3-amino-4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79483264
4-iodo-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79490314
2-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 79501668
4-amino-N-(2-methylpropyl)-N-pentan-3-ylbenzamide;hydrochloride
CID 119816015
5-iodo-N-(2-methylpropyl)-N-pentan-3-ylthiophene-3-carboxamide
CID 79693520
2,6-dichloro-N-(1-hydroxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 115869509
3-[2-methylpropyl(pentan-3-yl)carbamoyl]-5-nitrobenzoic acid
CID 119187103
6-bromo-N-(2-methylpropyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 79484236
5-chloro-2-(methylamino)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 114924043
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 60782353

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide (CID 79483241) is 2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide is CCC(CC)N(CC(C)C)C(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide?
The InChIKey is RVVFJRWPNNUCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-5-12(6-2)19(9-10(3)4)15(20)11-7-13(16)18-14(17)8-11/h7-8,10,12H,5-6,9H2,1-4H3.
What are the key properties of 2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide?
2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide has a molecular weight of 317.26 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 79483241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).