2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide

C21H21N3O3 — CID 109173887

IUPAC2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccnc(Nc3ccccc3)c2)cc1OC
InChIInChI=1S/C21H21N3O3/c1-26-18-9-8-15(12-19(18)27-2)14-23-21(25)16-10-11-22-20(13-16)24-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyICQKJZLTFKYVHA-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.77
Rot. Bonds7

About 2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide

2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide (PubChem CID 109173887) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide
PubChem CID109173887
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccnc(Nc3ccccc3)c2)cc1OC
InChIInChI=1S/C21H21N3O3/c1-26-18-9-8-15(12-19(18)27-2)14-23-21(25)16-10-11-22-20(13-16)24-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyICQKJZLTFKYVHA-UHFFFAOYSA-N
XLogP3.77
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylanilino)pyridine-4-carboxamide
CID 109173888
2-(3,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171065
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dimethylanilino)pyridine-4-carboxamide
CID 109173893
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165743
2-(3,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169645
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170648
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109170766
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluoroanilino)pyridine-4-carboxamide
CID 109173792
N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide
CID 109169454
N-(pyridin-4-ylmethyl)-2-(3,4,5-trimethoxyanilino)pyridine-4-carboxamide
CID 109172063
N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170897
N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 109159951

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide (CID 109173887) is 2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide is COc1ccc(CNC(=O)c2ccnc(Nc3ccccc3)c2)cc1OC.
What is the InChIKey of 2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is ICQKJZLTFKYVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-18-9-8-15(12-19(18)27-2)14-23-21(25)16-10-11-22-20(13-16)24-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide?
2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 109173887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).