2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide

C22H23N3O4 — CID 109171065

IUPAC2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccnc(Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C22H23N3O4/c1-27-18-7-5-4-6-16(18)14-24-22(26)15-10-11-23-21(12-15)25-17-8-9-19(28-2)20(13-17)29-3/h4-13H,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHFPYIABOBSYXMM-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.78
Rot. Bonds8

About 2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide

2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide (PubChem CID 109171065) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
PubChem CID109171065
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccnc(Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C22H23N3O4/c1-27-18-7-5-4-6-16(18)14-24-22(26)15-10-11-23-21(12-15)25-17-8-9-19(28-2)20(13-17)29-3/h4-13H,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyHFPYIABOBSYXMM-UHFFFAOYSA-N
XLogP3.78
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169645
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109170766
2-(3-chloro-4-methylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171051
2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide
CID 109173887
2-(3,4-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172746
N-[(2-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170757
2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172767
2-(4-ethoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172763
2-(3-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172768
2-(3,4-dimethoxyanilino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109170096
N-butan-2-yl-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109165857
N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109177506

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide (CID 109171065) is 2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide is COc1ccccc1CNC(=O)c1ccnc(Nc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is HFPYIABOBSYXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-18-7-5-4-6-16(18)14-24-22(26)15-10-11-23-21(12-15)25-17-8-9-19(28-2)20(13-17)29-3/h4-13H,14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide?
2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 109171065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).