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

C22H23N3O3 — CID 109212313

IUPACN-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNc2ccnc(C(=O)Nc3cc(C)ccc3OC)c2)cc1
InChIInChI=1S/C22H23N3O3/c1-15-4-9-21(28-3)19(12-15)25-22(26)20-13-17(10-11-23-20)24-14-16-5-7-18(27-2)8-6-16/h4-13H,14H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyIEUCXRMGFUBOOW-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.27
Rot. Bonds7

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

N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109212313) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
PubChem CID109212313
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
SMILESCOc1ccc(CNc2ccnc(C(=O)Nc3cc(C)ccc3OC)c2)cc1
InChIInChI=1S/C22H23N3O3/c1-15-4-9-21(28-3)19(12-15)25-22(26)20-13-17(10-11-23-20)24-14-16-5-7-18(27-2)8-6-16/h4-13H,14H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyIEUCXRMGFUBOOW-UHFFFAOYSA-N
XLogP4.27
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide (CID 109212313) is N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide is COc1ccc(CNc2ccnc(C(=O)Nc3cc(C)ccc3OC)c2)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is IEUCXRMGFUBOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-4-9-21(28-3)19(12-15)25-22(26)20-13-17(10-11-23-20)24-14-16-5-7-18(27-2)8-6-16/h4-13H,14H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide?
N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109212313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).