N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide

C21H20ClN3O3 — CID 109234331

IUPACN-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(NCc3ccccc3OC)c2)cc1Cl
InChIInChI=1S/C21H20ClN3O3/c1-27-19-6-4-3-5-14(19)12-24-17-9-15(11-23-13-17)21(26)25-16-7-8-20(28-2)18(22)10-16/h3-11,13,24H,12H2,1-2H3,(H,25,26)
InChIKeyRFEYRVPKLVIUNE-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.62
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109234331) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109234331
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(NCc3ccccc3OC)c2)cc1Cl
InChIInChI=1S/C21H20ClN3O3/c1-27-19-6-4-3-5-14(19)12-24-17-9-15(11-23-13-17)21(26)25-16-7-8-20(28-2)18(22)10-16/h3-11,13,24H,12H2,1-2H3,(H,25,26)
InChIKeyRFEYRVPKLVIUNE-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235708
N-[4-(dimethylamino)phenyl]-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234351
N-(2,5-dimethoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234341
5-[(2-chlorophenyl)methylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109233942
N-(3-chloro-4-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240171
N-(3-chloro-4-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120022
N-(3-chloro-4-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109257939
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109231933
N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235722
5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243447

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide (CID 109234331) is N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide is COc1ccc(NC(=O)c2cncc(NCc3ccccc3OC)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is RFEYRVPKLVIUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-19-6-4-3-5-14(19)12-24-17-9-15(11-23-13-17)21(26)25-16-7-8-20(28-2)18(22)10-16/h3-11,13,24H,12H2,1-2H3,(H,25,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109234331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).