5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide

C15H14Cl2N2O2 — CID 7936550

IUPAC5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-9(11-5-3-4-6-13(11)21-2)19-15(20)10-7-12(16)14(17)18-8-10/h3-9H,1-2H3,(H,19,20)/t9-/m0/s1
InChIKeyAGKRXIBXICCMEI-VIFPVBQESA-N
MW325.20 g/mol
LogP3.89
Rot. Bonds4

About 5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide

5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 7936550) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID7936550
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O2/c1-9(11-5-3-4-6-13(11)21-2)19-15(20)10-7-12(16)14(17)18-8-10/h3-9H,1-2H3,(H,19,20)/t9-/m0/s1
InChIKeyAGKRXIBXICCMEI-VIFPVBQESA-N
XLogP3.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 26618870
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 42904939
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 17442232
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665
5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 43399464
5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 47162672
2-bromo-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 103753873
5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 61040655
5-chloro-N-[1-(2-chlorophenyl)ethyl]-6-hydrazinylpyridine-3-carboxamide
CID 62247507
3-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 66462846

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide (CID 7936550) is 5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide is COc1ccccc1[C@H](C)NC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is AGKRXIBXICCMEI-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-9(11-5-3-4-6-13(11)21-2)19-15(20)10-7-12(16)14(17)18-8-10/h3-9H,1-2H3,(H,19,20)/t9-/m0/s1.
What are the key properties of 5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide?
5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 7936550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).