N-[2-(3,4-dichlorophenyl)butyl]-N-methylpyridine-2-carboxamide

C17H18Cl2N2O — CID 91216734

IUPACN-[2-(3,4-dichlorophenyl)butyl]-N-methylpyridine-2-carboxamide
SMILESCCC(CN(C)C(=O)c1ccccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O/c1-3-12(13-7-8-14(18)15(19)10-13)11-21(2)17(22)16-6-4-5-9-20-16/h4-10,12H,3,11H2,1-2H3
InChIKeyAXOBPZRKQNMSDR-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.65
Rot. Bonds5

About N-[2-(3,4-dichlorophenyl)butyl]-N-methylpyridine-2-carboxamide

N-[2-(3,4-dichlorophenyl)butyl]-N-methylpyridine-2-carboxamide (PubChem CID 91216734) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)butyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)butyl]-N-methylpyridine-2-carboxamide
PubChem CID91216734
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC NameN-[2-(3,4-dichlorophenyl)butyl]-N-methylpyridine-2-carboxamide
SMILESCCC(CN(C)C(=O)c1ccccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O/c1-3-12(13-7-8-14(18)15(19)10-13)11-21(2)17(22)16-6-4-5-9-20-16/h4-10,12H,3,11H2,1-2H3
InChIKeyAXOBPZRKQNMSDR-UHFFFAOYSA-N
XLogP4.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-(3,4-dichlorophenyl)butyl]-N,3,4-trimethylnaphthalene-1-carboxamide
CID 59883394
N-(2-chloropropyl)-N-methylpyridine-2-carboxamide
CID 63393519
N-methyl-N-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]pyridine-2-carboxamide
CID 86031517
N-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide
CID 22405750
N-[(2S)-2-(3,4-dichlorophenyl)-4-(4-pyridin-2-ylpiperidin-1-yl)butyl]-N-methylbenzamide;hydrochloride
CID 67713411
3,5-dichloro-N-[(2S)-2-(3,4-dichlorophenyl)-4-oxobutyl]-N-methylbenzamide
CID 54492746
N-[2-(3,4-dichlorophenyl)-4-[4-(diethylcarbamoyl)-4-piperidin-1-ylpiperidin-1-yl]butyl]-N-methylpyrazine-2-carboxamide
CID 154213413
N-[(2S)-2-(3,4-dichlorophenyl)-4-oxobutyl]-N,3-dimethylbenzamide
CID 54275892
N-[2-(3,4-dichlorophenyl)but-3-enyl]-N-methylbenzamide
CID 19066418
methyl 2-[methyl(pyridine-2-carbonyl)amino]acetate
CID 43407333
N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-2-carboxamide
CID 54984032
N-methylpyridine-2-carbohydrazide
CID 45084309

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)butyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)butyl]-N-methylpyridine-2-carboxamide (CID 91216734) is N-[2-(3,4-dichlorophenyl)butyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)butyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)butyl]-N-methylpyridine-2-carboxamide is CCC(CN(C)C(=O)c1ccccn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)butyl]-N-methylpyridine-2-carboxamide?
The InChIKey is AXOBPZRKQNMSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-3-12(13-7-8-14(18)15(19)10-13)11-21(2)17(22)16-6-4-5-9-20-16/h4-10,12H,3,11H2,1-2H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)butyl]-N-methylpyridine-2-carboxamide?
N-[2-(3,4-dichlorophenyl)butyl]-N-methylpyridine-2-carboxamide has a molecular weight of 337.25 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)butyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 91216734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).