4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide

C21H21N3O3 — CID 109212009

IUPAC4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1cccc(Nc2ccnc(C(=O)NCc3ccccc3OC)c2)c1
InChIInChI=1S/C21H21N3O3/c1-26-18-8-5-7-16(12-18)24-17-10-11-22-19(13-17)21(25)23-14-15-6-3-4-9-20(15)27-2/h3-13H,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyTZBIEUFJMSYBBV-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.77
Rot. Bonds7

About 4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide

4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109212009) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109212009
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1cccc(Nc2ccnc(C(=O)NCc3ccccc3OC)c2)c1
InChIInChI=1S/C21H21N3O3/c1-26-18-8-5-7-16(12-18)24-17-10-11-22-19(13-17)21(25)23-14-15-6-3-4-9-20(15)27-2/h3-13H,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyTZBIEUFJMSYBBV-UHFFFAOYSA-N
XLogP3.77
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212022
4-(2-ethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211987
4-(4-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212035
4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211963
4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109202686
2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257842
N-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109212040
4-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214302
4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218773
4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206140
N-[(2-fluorophenyl)methyl]-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109211205
N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109211945

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 109212009) is 4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is COc1cccc(Nc2ccnc(C(=O)NCc3ccccc3OC)c2)c1.
What is the InChIKey of 4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is TZBIEUFJMSYBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-18-8-5-7-16(12-18)24-17-10-11-22-19(13-17)21(25)23-14-15-6-3-4-9-20(15)27-2/h3-13H,14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109212009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).