2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide

C14H18Cl2N2O — CID 113228627

IUPAC2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)CCN(C(=O)c1ccc(Cl)nc1Cl)C1CC1
InChIInChI=1S/C14H18Cl2N2O/c1-9(2)7-8-18(10-3-4-10)14(19)11-5-6-12(15)17-13(11)16/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyVOODJNUWVHYYHV-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.04
Rot. Bonds5

About 2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide

2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide (PubChem CID 113228627) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide
PubChem CID113228627
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)CCN(C(=O)c1ccc(Cl)nc1Cl)C1CC1
InChIInChI=1S/C14H18Cl2N2O/c1-9(2)7-8-18(10-3-4-10)14(19)11-5-6-12(15)17-13(11)16/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyVOODJNUWVHYYHV-UHFFFAOYSA-N
XLogP4.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.04
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

2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 106993943
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 60782353
2,6-dichloro-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
CID 113228634
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-sulfanylbenzamide
CID 107026530
N-cyclopropyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 113224066
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-5-nitrobenzamide
CID 60732997
N-cyclopropyl-5-methyl-N-(3-methylbutyl)-1H-pyrazole-4-carboxamide
CID 63999032
5-chloro-N-cyclopentyl-2-hydroxy-N-(3-methylbutyl)benzamide
CID 112725848
N-cyclopropyl-2,6-dihydroxy-N-(3-methylbutyl)benzamide
CID 107689256
4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 54875046
6-amino-N-cyclopropyl-N-(3-methylbutyl)pyridine-2-carboxamide;hydrochloride
CID 119999003
2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 103687935

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide (CID 113228627) is 2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide is CC(C)CCN(C(=O)c1ccc(Cl)nc1Cl)C1CC1.
What is the InChIKey of 2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is VOODJNUWVHYYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-9(2)7-8-18(10-3-4-10)14(19)11-5-6-12(15)17-13(11)16/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide?
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 301.22 g/mol, XLogP of 4.04, 5 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-(3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 113228627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).