3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide

C15H14Cl2N2O — CID 47097948

IUPAC3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccccc1C(C)NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-9-5-3-4-6-11(9)10(2)18-15(20)14-12(16)7-8-13(17)19-14/h3-8,10H,1-2H3,(H,18,20)
InChIKeyXOHOZYUUDLBNMT-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.19
Rot. Bonds3

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

3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 47097948) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide
PubChem CID47097948
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccccc1C(C)NC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-9-5-3-4-6-11(9)10(2)18-15(20)14-12(16)7-8-13(17)19-14/h3-8,10H,1-2H3,(H,18,20)
InChIKeyXOHOZYUUDLBNMT-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

3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62175178
3,6-dichloro-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 26290782
5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47097917
(2S)-2-[(3,6-dichloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 103622853
3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 79249197
3-bromo-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide
CID 107518059
2-amino-6-chloro-N-[1-(2-methylphenyl)ethyl]benzamide
CID 63659319
3-chloro-4-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111876
methyl N-[1-(2-methylphenyl)ethyl]carbamate
CID 112683657
3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide
CID 46523092
3,6-dichloro-N-[4-(dimethylamino)butan-2-yl]pyridine-2-carboxamide
CID 54968177
2,4-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 78776283

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide (CID 47097948) is 3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide is Cc1ccccc1C(C)NC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is XOHOZYUUDLBNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-9-5-3-4-6-11(9)10(2)18-15(20)14-12(16)7-8-13(17)19-14/h3-8,10H,1-2H3,(H,18,20).
What are the key properties of 3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide?
3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-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 3,6-dichloro-N-[1-(2-methylphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 47097948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).