N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide

C21H20ClN3O2 — CID 109170899

IUPACN-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)NCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C21H20ClN3O2/c1-2-27-19-6-4-3-5-18(19)25-20-13-16(11-12-23-20)21(26)24-14-15-7-9-17(22)10-8-15/h3-13H,2,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyWMOSISISFFMYPQ-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.81
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide

N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide (PubChem CID 109170899) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide
PubChem CID109170899
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)NCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C21H20ClN3O2/c1-2-27-19-6-4-3-5-18(19)25-20-13-16(11-12-23-20)21(26)24-14-15-7-9-17(22)10-8-15/h3-13H,2,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyWMOSISISFFMYPQ-UHFFFAOYSA-N
XLogP4.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109257644
2-(2-ethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172626
N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide
CID 109169457
N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109170859
N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170897
2-N-(2-ethoxyphenyl)-4-N-[(4-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085904
2-(2-ethoxyanilino)-N,N-diethylpyridine-4-carboxamide
CID 109174723
N-(2-ethoxyphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177245
N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide
CID 109169498
2-(5-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171227
2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172024
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109170966

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide (CID 109170899) is N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide is CCOc1ccccc1Nc1cc(C(=O)NCc2ccc(Cl)cc2)ccn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide?
The InChIKey is WMOSISISFFMYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-2-27-19-6-4-3-5-18(19)25-20-13-16(11-12-23-20)21(26)24-14-15-7-9-17(22)10-8-15/h3-13H,2,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109170899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).