5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide

C22H22N4O3 — CID 109190233

IUPAC5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2cccc(NC(C)=O)c2)cn1
InChIInChI=1S/C22H22N4O3/c1-15(27)25-17-7-5-8-18(12-17)26-19-10-11-20(23-14-19)22(28)24-13-16-6-3-4-9-21(16)29-2/h3-12,14,26H,13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeySAUBMMZNAYHTIW-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.72
Rot. Bonds7

About 5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide

5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109190233) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID109190233
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2cccc(NC(C)=O)c2)cn1
InChIInChI=1S/C22H22N4O3/c1-15(27)25-17-7-5-8-18(12-17)26-19-10-11-20(23-14-19)22(28)24-13-16-6-3-4-9-21(16)29-2/h3-12,14,26H,13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeySAUBMMZNAYHTIW-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

N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide
CID 109190188
5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190232
6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349018
5-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190217
4-(4-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212022
5-(3-acetamidoanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199786
N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109190227
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190229
5-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190194
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109184031
5-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridine-2-carboxamide
CID 109189885
5-(3-acetamidoanilino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109199969

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide (CID 109190233) is 5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is COc1ccccc1CNC(=O)c1ccc(Nc2cccc(NC(C)=O)c2)cn1.
What is the InChIKey of 5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is SAUBMMZNAYHTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15(27)25-17-7-5-8-18(12-17)26-19-10-11-20(23-14-19)22(28)24-13-16-6-3-4-9-21(16)29-2/h3-12,14,26H,13H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide?
5-(3-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 5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109190233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).