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

C21H20ClN3O — CID 109211655

IUPACN-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide
SMILESCCN(c1ccccc1)c1ccnc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C21H20ClN3O/c1-2-25(17-9-4-3-5-10-17)18-12-13-23-20(14-18)21(26)24-15-16-8-6-7-11-19(16)22/h3-14H,2,15H2,1H3,(H,24,26)
InChIKeyGESPBRDAFOWGRS-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.82
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide (PubChem CID 109211655) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide
PubChem CID109211655
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide
SMILESCCN(c1ccccc1)c1ccnc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C21H20ClN3O/c1-2-25(17-9-4-3-5-10-17)18-12-13-23-20(14-18)21(26)24-15-16-8-6-7-11-19(16)22/h3-14H,2,15H2,1H3,(H,24,26)
InChIKeyGESPBRDAFOWGRS-UHFFFAOYSA-N
XLogP4.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211188
N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109209759
N-(4-acetamidophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220336
N-tert-butyl-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109216854
N-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220315
4-(N-ethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219349
4-(N-ethylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210693
2-N-[(2-chlorophenyl)methyl]-4-N-phenylpyridine-2,4-dicarboxamide
CID 109086683
4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109220319
4-(N-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109220359
N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217216
N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210753

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide (CID 109211655) is N-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide is CCN(c1ccccc1)c1ccnc(C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide?
The InChIKey is GESPBRDAFOWGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-2-25(17-9-4-3-5-10-17)18-12-13-23-20(14-18)21(26)24-15-16-8-6-7-11-19(16)22/h3-14H,2,15H2,1H3,(H,24,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide?
N-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(N-ethylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109211655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).