5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide

C15H14Cl2N2O — CID 47162672

IUPAC5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H14Cl2N2O/c1-9-3-5-11(6-4-9)10(2)19-15(20)12-7-13(16)14(17)18-8-12/h3-8,10H,1-2H3,(H,19,20)
InChIKeyQKKOHVACRWCSME-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.19
Rot. Bonds3

About 5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide

5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 47162672) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID47162672
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cnc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H14Cl2N2O/c1-9-3-5-11(6-4-9)10(2)19-15(20)12-7-13(16)14(17)18-8-12/h3-8,10H,1-2H3,(H,19,20)
InChIKeyQKKOHVACRWCSME-UHFFFAOYSA-N
XLogP4.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 47097753
5,6-dichloro-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]pyridine-3-carboxamide
CID 7999529
5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 61040655
5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 8854525
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 43399464
5,6-dichloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612580
3-amino-4,5-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 61102024
5,6-dichloro-N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]pyridine-3-carboxamide
CID 9051064
5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79027668
5,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide
CID 78961181
5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 7936550

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide (CID 47162672) is 5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide is Cc1ccc(C(C)NC(=O)c2cnc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is QKKOHVACRWCSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-9-3-5-11(6-4-9)10(2)19-15(20)12-7-13(16)14(17)18-8-12/h3-8,10H,1-2H3,(H,19,20).
What are the key properties of 5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 309.20 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 47162672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).