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

C21H20ClN3O — CID 109170866

IUPACN-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccnc(NCCc2ccccc2)c1
InChIInChI=1S/C21H20ClN3O/c22-19-8-6-17(7-9-19)15-25-21(26)18-11-13-24-20(14-18)23-12-10-16-4-2-1-3-5-16/h1-9,11,13-14H,10,12,15H2,(H,23,24)(H,25,26)
InChIKeyUZUJUVGCNBCHIY-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.32
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide (PubChem CID 109170866) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide
PubChem CID109170866
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccnc(NCCc2ccccc2)c1
InChIInChI=1S/C21H20ClN3O/c22-19-8-6-17(7-9-19)15-25-21(26)18-11-13-24-20(14-18)23-12-10-16-4-2-1-3-5-16/h1-9,11,13-14H,10,12,15H2,(H,23,24)(H,25,26)
InChIKeyUZUJUVGCNBCHIY-UHFFFAOYSA-N
XLogP4.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide
CID 109169452
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109170868
N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109169444
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide
CID 109165043
N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167164
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109170859
2-[2-(2-fluorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170555
2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171827
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169909
N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109119889
2-[2-(3-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172481

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide (CID 109170866) is N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccnc(NCCc2ccccc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide?
The InChIKey is UZUJUVGCNBCHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c22-19-8-6-17(7-9-19)15-25-21(26)18-11-13-24-20(14-18)23-12-10-16-4-2-1-3-5-16/h1-9,11,13-14H,10,12,15H2,(H,23,24)(H,25,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109170866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).