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

C21H17ClN4O — CID 109173836

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(2-cyanoanilino)pyridine-4-carboxamide
SMILESN#Cc1ccccc1Nc1cc(C(=O)NCCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C21H17ClN4O/c22-18-7-5-15(6-8-18)9-11-25-21(27)16-10-12-24-20(13-16)26-19-4-2-1-3-17(19)14-23/h1-8,10,12-13H,9,11H2,(H,24,26)(H,25,27)
InChIKeyJRMXHKGDPSRBOO-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.32
Rot. Bonds6

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

N-[2-(4-chlorophenyl)ethyl]-2-(2-cyanoanilino)pyridine-4-carboxamide (PubChem CID 109173836) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(2-cyanoanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(2-cyanoanilino)pyridine-4-carboxamide
PubChem CID109173836
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(2-cyanoanilino)pyridine-4-carboxamide
SMILESN#Cc1ccccc1Nc1cc(C(=O)NCCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C21H17ClN4O/c22-18-7-5-15(6-8-18)9-11-25-21(27)16-10-12-24-20(13-16)26-19-4-2-1-3-17(19)14-23/h1-8,10,12-13H,9,11H2,(H,24,26)(H,25,27)
InChIKeyJRMXHKGDPSRBOO-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-(2-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172648
2-(2-cyanoanilino)-N-(3,5-dichlorophenyl)pyridine-4-carboxamide
CID 109178950
2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 109172229
2-(2-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109168019
N-[2-(3-chlorophenyl)ethyl]-6-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109355479
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-cyanoanilino)pyridine-4-carboxamide
CID 109171416
N-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide
CID 109177830
2-(2-chloroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172487
N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide
CID 109170866
N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
CID 109172233
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide
CID 109165043
2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172626

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2-cyanoanilino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(2-cyanoanilino)pyridine-4-carboxamide (CID 109173836) is N-[2-(4-chlorophenyl)ethyl]-2-(2-cyanoanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(2-cyanoanilino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(2-cyanoanilino)pyridine-4-carboxamide is N#Cc1ccccc1Nc1cc(C(=O)NCCc2ccc(Cl)cc2)ccn1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(2-cyanoanilino)pyridine-4-carboxamide?
The InChIKey is JRMXHKGDPSRBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c22-18-7-5-15(6-8-18)9-11-25-21(27)16-10-12-24-20(13-16)26-19-4-2-1-3-17(19)14-23/h1-8,10,12-13H,9,11H2,(H,24,26)(H,25,27).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(2-cyanoanilino)pyridine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2-(2-cyanoanilino)pyridine-4-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-(4-chlorophenyl)ethyl]-2-(2-cyanoanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109173836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).