5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide

C14H10Cl4N2O — CID 7941890

IUPAC5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl4N2O/c1-7(10-3-2-9(15)5-11(10)16)20-14(21)8-4-12(17)13(18)19-6-8/h2-7H,1H3,(H,20,21)/t7-/m1/s1
InChIKeyMURMAUDINZKSLF-SSDOTTSWSA-N
MW364.06 g/mol
LogP5.19
Rot. Bonds3

About 5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide

5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 7941890) has the molecular formula C14H10Cl4N2O and a molecular weight of 364.06 g/mol. Its IUPAC name is 5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID7941890
Molecular FormulaC14H10Cl4N2O
Molecular Weight364.06 g/mol
Exact Mass361.95
IUPAC Name5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl4N2O/c1-7(10-3-2-9(15)5-11(10)16)20-14(21)8-4-12(17)13(18)19-6-8/h2-7H,1H3,(H,20,21)/t7-/m1/s1
InChIKeyMURMAUDINZKSLF-SSDOTTSWSA-N
XLogP5.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.06
LogP ≤ 55.19
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

2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 43235797
5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 7936550
methyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate
CID 32912046
5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 47162672
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 43101350
N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 47097753
5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 43399464
5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 61040655
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 9441444
5,6-dichloro-N-[(2R)-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 79027668
5,6-dichloro-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]pyridine-3-carboxamide
CID 7999529
5,6-dichloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612580

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide (CID 7941890) is 5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide is C[C@@H](NC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is MURMAUDINZKSLF-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H10Cl4N2O/c1-7(10-3-2-9(15)5-11(10)16)20-14(21)8-4-12(17)13(18)19-6-8/h2-7H,1H3,(H,20,21)/t7-/m1/s1.
What are the key properties of 5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide?
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 364.06 g/mol, XLogP of 5.19, 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-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 7941890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).