N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide

C23H25N3O3 — CID 109190227

IUPACN-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2ccc(OC(C)C)cc2)cn1
InChIInChI=1S/C23H25N3O3/c1-16(2)29-20-11-8-18(9-12-20)26-19-10-13-21(24-15-19)23(27)25-14-17-6-4-5-7-22(17)28-3/h4-13,15-16,26H,14H2,1-3H3,(H,25,27)
InChIKeyPLAPFLGLRAXEOQ-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.55
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide

N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide (PubChem CID 109190227) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
PubChem CID109190227
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Nc2ccc(OC(C)C)cc2)cn1
InChIInChI=1S/C23H25N3O3/c1-16(2)29-20-11-8-18(9-12-20)26-19-10-13-21(24-15-19)23(27)25-14-17-6-4-5-7-22(17)28-3/h4-13,15-16,26H,14H2,1-3H3,(H,25,27)
InChIKeyPLAPFLGLRAXEOQ-UHFFFAOYSA-N
XLogP4.55
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190232
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190229
N-[(2-methoxyphenyl)methyl]-5-(3-methylanilino)pyridine-2-carboxamide
CID 109190188
5-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190233
5-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190217
5-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109184031
5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62953516
N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109282251
5-(2,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190194
5-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189465
N-[(2-methoxyphenyl)methyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109190160
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109189345

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide (CID 109190227) is N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide is COc1ccccc1CNC(=O)c1ccc(Nc2ccc(OC(C)C)cc2)cn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide?
The InChIKey is PLAPFLGLRAXEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16(2)29-20-11-8-18(9-12-20)26-19-10-13-21(24-15-19)23(27)25-14-17-6-4-5-7-22(17)28-3/h4-13,15-16,26H,14H2,1-3H3,(H,25,27).
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109190227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).