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

C21H20ClN3O2 — CID 109170859

IUPACN-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
SMILESCOc1ccccc1CNc1cc(C(=O)NCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C21H20ClN3O2/c1-27-19-5-3-2-4-17(19)14-24-20-12-16(10-11-23-20)21(26)25-13-15-6-8-18(22)9-7-15/h2-12H,13-14H2,1H3,(H,23,24)(H,25,26)
InChIKeyRECKFWQORXZJCR-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.29
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide (PubChem CID 109170859) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
PubChem CID109170859
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
SMILESCOc1ccccc1CNc1cc(C(=O)NCc2ccc(Cl)cc2)ccn1
InChIInChI=1S/C21H20ClN3O2/c1-27-19-5-3-2-4-17(19)14-24-20-12-16(10-11-23-20)21(26)25-13-15-6-8-18(22)9-7-15/h2-12H,13-14H2,1H3,(H,23,24)(H,25,26)
InChIKeyRECKFWQORXZJCR-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

N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171137
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109170966
2-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171988
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109170868
6-[(4-chlorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109156901
N-[(4-chlorophenyl)methyl]-2-(2-phenylethylamino)pyridine-4-carboxamide
CID 109170866
N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167164
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085284
N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide
CID 109170899
N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170897
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170648
N-[(2-chlorophenyl)methyl]-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170717

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide (CID 109170859) is N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide is COc1ccccc1CNc1cc(C(=O)NCc2ccc(Cl)cc2)ccn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide?
The InChIKey is RECKFWQORXZJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-27-19-5-3-2-4-17(19)14-24-20-12-16(10-11-23-20)21(26)25-13-15-6-8-18(22)9-7-15/h2-12H,13-14H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-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 N-[(4-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109170859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).