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

C22H22N4O3 — CID 109190534

IUPACN-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)nc2)cc1
InChIInChI=1S/C22H22N4O3/c1-15(27)25-17-5-7-18(8-6-17)26-22(28)21-12-9-19(14-24-21)23-13-16-3-10-20(29-2)11-4-16/h3-12,14,23H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyRELUUUJWKOLSSH-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.91
Rot. Bonds7

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

N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109190534) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
PubChem CID109190534
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)nc2)cc1
InChIInChI=1S/C22H22N4O3/c1-15(27)25-17-5-7-18(8-6-17)26-22(28)21-12-9-19(14-24-21)23-13-16-3-10-20(29-2)11-4-16/h3-12,14,23H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyRELUUUJWKOLSSH-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191679
N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190538
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282564
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
N-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190530
N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120236
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258158
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190539
5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide
CID 109179073
N-(2,5-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190528
N-cyclopropyl-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109179866
N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109190359

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide (CID 109190534) is N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide is COc1ccc(CNc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)nc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is RELUUUJWKOLSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15(27)25-17-5-7-18(8-6-17)26-22(28)21-12-9-19(14-24-21)23-13-16-3-10-20(29-2)11-4-16/h3-12,14,23H,13H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109190534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).