N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide

C21H20ClN3O2 — CID 109157012

IUPACN-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
SMILESCCOc1ccc(Nc2ccc(C(=O)NCc3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-2-27-19-10-8-18(9-11-19)25-20-12-5-16(14-23-20)21(26)24-13-15-3-6-17(22)7-4-15/h3-12,14H,2,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyHVUPZTWUVJUXMC-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.81
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide (PubChem CID 109157012) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
PubChem CID109157012
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
SMILESCCOc1ccc(Nc2ccc(C(=O)NCc3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-2-27-19-10-8-18(9-11-19)25-20-12-5-16(14-23-20)21(26)24-13-15-3-6-17(22)7-4-15/h3-12,14H,2,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyHVUPZTWUVJUXMC-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

6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156061
N-[(2-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109156873
N-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109234037
N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109348808
ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109156091
6-(4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157190
N-(3-chlorophenyl)-6-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109163439
6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164185
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-[(4-chlorophenyl)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109157029
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
methyl 4-[[5-[(4-ethoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164188

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide (CID 109157012) is N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide is CCOc1ccc(Nc2ccc(C(=O)NCc3ccc(Cl)cc3)cn2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide?
The InChIKey is HVUPZTWUVJUXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-2-27-19-10-8-18(9-11-19)25-20-12-5-16(14-23-20)21(26)24-13-15-3-6-17(22)7-4-15/h3-12,14H,2,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyridine-3-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]-6-(4-ethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109157012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).