N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide

C21H20ClN3O3 — CID 109170764

IUPACN-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2cc(C(=O)NCc3ccccc3Cl)ccn2)c1
InChIInChI=1S/C21H20ClN3O3/c1-27-16-7-8-19(28-2)18(12-16)25-20-11-14(9-10-23-20)21(26)24-13-15-5-3-4-6-17(15)22/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyWCARBLGFTMLWFU-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.43
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide

N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide (PubChem CID 109170764) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide
PubChem CID109170764
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide
SMILESCOc1ccc(OC)c(Nc2cc(C(=O)NCc3ccccc3Cl)ccn2)c1
InChIInChI=1S/C21H20ClN3O3/c1-27-16-7-8-19(28-2)18(12-16)25-20-11-14(9-10-23-20)21(26)24-13-15-5-3-4-6-17(15)22/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyWCARBLGFTMLWFU-UHFFFAOYSA-N
XLogP4.43
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109170766
N-[(2-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170757
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109257453
methyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109170771
2-(2,4-dimethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170430
2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167090
N-[(2-chlorophenyl)methyl]-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170717
2-(4-acetamidoanilino)-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170770
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171051
2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171065
2-(5-chloro-2-methoxyanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177361

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide (CID 109170764) is N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide is COc1ccc(OC)c(Nc2cc(C(=O)NCc3ccccc3Cl)ccn2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide?
The InChIKey is WCARBLGFTMLWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-16-7-8-19(28-2)18(12-16)25-20-11-14(9-10-23-20)21(26)24-13-15-5-3-4-6-17(15)22/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109170764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).