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

C21H20ClN3O2 — CID 109211857

IUPAC4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NCc3ccc(Cl)cc3)ccn2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-27-19-8-4-16(5-9-19)14-25-21(26)20-12-18(10-11-23-20)24-13-15-2-6-17(22)7-3-15/h2-12H,13-14H2,1H3,(H,23,24)(H,25,26)
InChIKeyDXQVOMBQGKTZOX-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.29
Rot. Bonds7

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

4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109211857) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109211857
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(NCc3ccc(Cl)cc3)ccn2)cc1
InChIInChI=1S/C21H20ClN3O2/c1-27-19-8-4-16(5-9-19)14-25-21(26)20-12-18(10-11-23-20)24-13-15-2-6-17(22)7-3-15/h2-12H,13-14H2,1H3,(H,23,24)(H,25,26)
InChIKeyDXQVOMBQGKTZOX-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
N-[(4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210281
N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62186393
N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203069
N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348753
4-[(4-chlorophenyl)methylamino]-N-methylpyridine-2-carboxamide
CID 43395704
N-benzyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209636
4-(2-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212198
N-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212249
N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109212162
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 109211857) is 4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccc(CNC(=O)c2cc(NCc3ccc(Cl)cc3)ccn2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is DXQVOMBQGKTZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-27-19-8-4-16(5-9-19)14-25-21(26)20-12-18(10-11-23-20)24-13-15-2-6-17(22)7-3-15/h2-12H,13-14H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide?
4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109211857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).