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

C22H22N4O3 — CID 109212022

IUPAC4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(Nc2ccc(NC(C)=O)cc2)ccn1
InChIInChI=1S/C22H22N4O3/c1-15(27)25-17-7-9-18(10-8-17)26-19-11-12-23-20(13-19)22(28)24-14-16-5-3-4-6-21(16)29-2/h3-13H,14H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyRSUFAENAQWLFEU-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.72
Rot. Bonds7

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

4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109212022) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109212022
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(Nc2ccc(NC(C)=O)cc2)ccn1
InChIInChI=1S/C22H22N4O3/c1-15(27)25-17-7-9-18(10-8-17)26-19-11-12-23-20(13-19)22(28)24-14-16-5-3-4-6-21(16)29-2/h3-13H,14H2,1-2H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyRSUFAENAQWLFEU-UHFFFAOYSA-N
XLogP3.72
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212035
4-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212009
4-(2-ethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211987
5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190233
4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211963
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-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109202686
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
6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349018
N-[(2-methoxyphenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210755

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 109212022) is 4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccccc1CNC(=O)c1cc(Nc2ccc(NC(C)=O)cc2)ccn1.
What is the InChIKey of 4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is RSUFAENAQWLFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15(27)25-17-7-9-18(10-8-17)26-19-11-12-23-20(13-19)22(28)24-14-16-5-3-4-6-21(16)29-2/h3-13H,14H2,1-2H3,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of 4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109212022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).