N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide

C22H23N3O4 — CID 109237914

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2cncc(C(=O)NCc3ccc(OC)c(OC)c3)c2)c1
InChIInChI=1S/C22H23N3O4/c1-27-19-6-4-5-17(11-19)25-18-10-16(13-23-14-18)22(26)24-12-15-7-8-20(28-2)21(9-15)29-3/h4-11,13-14,25H,12H2,1-3H3,(H,24,26)
InChIKeyODMRTEDVKLCYNK-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.78
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide (PubChem CID 109237914) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide
PubChem CID109237914
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1cccc(Nc2cncc(C(=O)NCc3ccc(OC)c(OC)c3)c2)c1
InChIInChI=1S/C22H23N3O4/c1-27-19-6-4-5-17(11-19)25-18-10-16(13-23-14-18)22(26)24-12-15-7-8-20(28-2)21(9-15)29-3/h4-11,13-14,25H,12H2,1-3H3,(H,24,26)
InChIKeyODMRTEDVKLCYNK-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

N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109237906
N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 109159951
5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109237922
5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234433
N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63866016
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232108
5-N-(3-methoxyphenyl)-3-N-[(3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105232
5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245209
5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235293
5-(2,5-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245203
3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109101964
methyl 3-[[5-[(3-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109232319

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide (CID 109237914) is N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide is COc1cccc(Nc2cncc(C(=O)NCc3ccc(OC)c(OC)c3)c2)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is ODMRTEDVKLCYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-19-6-4-5-17(11-19)25-18-10-16(13-23-14-18)22(26)24-12-15-7-8-20(28-2)21(9-15)29-3/h4-11,13-14,25H,12H2,1-3H3,(H,24,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-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 N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109237914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).