2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide

C14H18Cl2N2O — CID 60782353

IUPAC2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide
SMILESCC(C)CCN(C(=O)c1cc(Cl)nc(Cl)c1)C1CC1
InChIInChI=1S/C14H18Cl2N2O/c1-9(2)5-6-18(11-3-4-11)14(19)10-7-12(15)17-13(16)8-10/h7-9,11H,3-6H2,1-2H3
InChIKeySSSPGDACCQLWQS-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.04
Rot. Bonds5

About 2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide

2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide (PubChem CID 60782353) 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-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide
PubChem CID60782353
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide
SMILESCC(C)CCN(C(=O)c1cc(Cl)nc(Cl)c1)C1CC1
InChIInChI=1S/C14H18Cl2N2O/c1-9(2)5-6-18(11-3-4-11)14(19)10-7-12(15)17-13(16)8-10/h7-9,11H,3-6H2,1-2H3
InChIKeySSSPGDACCQLWQS-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

4-(chloromethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 54875046
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 113228627
2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 63101703
N-cyclopropyl-5-hydroxy-N-(3-methylbutyl)pyridine-3-carboxamide
CID 63860319
N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide
CID 78974536
N-cyclopropyl-3-hydroxy-4-iodo-N-(3-methylbutyl)benzamide
CID 104627610
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide
CID 62177130
2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 60749864
2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide
CID 62169478
N-cyclopropyl-2,6-dihydroxy-N-(3-methylbutyl)benzamide
CID 107689256
4-(bromomethyl)-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 102851269
4-carbamothioyl-N-cyclopropyl-N-(3-methylbutyl)benzamide
CID 78974487

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide (CID 60782353) is 2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide is CC(C)CCN(C(=O)c1cc(Cl)nc(Cl)c1)C1CC1.
What is the InChIKey of 2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide?
The InChIKey is SSSPGDACCQLWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-9(2)5-6-18(11-3-4-11)14(19)10-7-12(15)17-13(16)8-10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide?
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-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-4-carboxamide is sourced from PubChem (CID 60782353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).