N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide

C16H18ClN3O — CID 105069956

IUPACN-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O/c1-11(12-5-4-6-13(17)9-12)20(3)16(21)14-7-8-19-10-15(14)18-2/h4-11,18H,1-3H3
InChIKeyUIIPHXLJTSHTDM-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.61
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide

N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide (PubChem CID 105069956) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide
PubChem CID105069956
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O/c1-11(12-5-4-6-13(17)9-12)20(3)16(21)14-7-8-19-10-15(14)18-2/h4-11,18H,1-3H3
InChIKeyUIIPHXLJTSHTDM-UHFFFAOYSA-N
XLogP3.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 77080919
N-[1-(2-chlorophenyl)ethyl]-3-hydrazinyl-N-methylpyridine-4-carboxamide
CID 105072124
3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 66483342
N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 104928613
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62978574
N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide
CID 47161938
4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62978573
6-amino-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62728769
N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 134053942
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide
CID 62978753
2-amino-6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzamide
CID 63659864
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 46591274

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide (CID 105069956) is N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide is CNc1cnccc1C(=O)N(C)C(C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide?
The InChIKey is UIIPHXLJTSHTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11(12-5-4-6-13(17)9-12)20(3)16(21)14-7-8-19-10-15(14)18-2/h4-11,18H,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105069956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).