N-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide

C21H17ClN4O — CID 109161981

IUPACN-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide
SMILESN#Cc1ccc(Nc2ccc(C(=O)NCCc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C21H17ClN4O/c22-18-3-1-2-15(12-18)10-11-24-21(27)17-6-9-20(25-14-17)26-19-7-4-16(13-23)5-8-19/h1-9,12,14H,10-11H2,(H,24,27)(H,25,26)
InChIKeyJJKVRARCOIOGNH-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.32
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide

N-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide (PubChem CID 109161981) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide
PubChem CID109161981
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide
SMILESN#Cc1ccc(Nc2ccc(C(=O)NCCc3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C21H17ClN4O/c22-18-3-1-2-15(12-18)10-11-24-21(27)17-6-9-20(25-14-17)26-19-7-4-16(13-23)5-8-19/h1-9,12,14H,10-11H2,(H,24,27)(H,25,26)
InChIKeyJJKVRARCOIOGNH-UHFFFAOYSA-N
XLogP4.32
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109264775
N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide
CID 31251030
2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259496
N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109264772
6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154528
6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1441265
N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 1441278
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158344
6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158309
6-(4-cyanoanilino)-N-(2,3-dichlorophenyl)pyridine-3-carboxamide
CID 109164958
6-(3-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 109152824
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide (CID 109161981) is N-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide is N#Cc1ccc(Nc2ccc(C(=O)NCCc3cccc(Cl)c3)cn2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide?
The InChIKey is JJKVRARCOIOGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c22-18-3-1-2-15(12-18)10-11-24-21(27)17-6-9-20(25-14-17)26-19-7-4-16(13-23)5-8-19/h1-9,12,14H,10-11H2,(H,24,27)(H,25,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide has a molecular weight of 376.85 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109161981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).