N-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide

C15H15Cl2N3O — CID 105068061

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N3O/c1-9(11-4-3-10(16)7-13(11)17)20-15(21)12-5-6-19-8-14(12)18-2/h3-9,18H,1-2H3,(H,20,21)
InChIKeyLCTRCSOHMOFFOA-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.92
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide

N-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide (PubChem CID 105068061) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide
PubChem CID105068061
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N3O/c1-9(11-4-3-10(16)7-13(11)17)20-15(21)12-5-6-19-8-14(12)18-2/h3-9,18H,1-2H3,(H,20,21)
InChIKeyLCTRCSOHMOFFOA-UHFFFAOYSA-N
XLogP3.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068601
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-(methylamino)pyridine-4-carboxamide
CID 105071098
3-chloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridin-4-amine
CID 79840895
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide
CID 81379610
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
CID 7986626
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 63500588
2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 43235797
2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 114370055
N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 4876390
3-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 105069629
4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 47118898

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide (CID 105068061) is N-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide is CNc1cnccc1C(=O)NC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide?
The InChIKey is LCTRCSOHMOFFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-9(11-4-3-10(16)7-13(11)17)20-15(21)12-5-6-19-8-14(12)18-2/h3-9,18H,1-2H3,(H,20,21).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide?
N-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide has a molecular weight of 324.21 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-3-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105068061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).