4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]benzamide

C20H19N3O3 — CID 44525558

IUPAC4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]benzamide
SMILESCOc1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)cc1OC
InChIInChI=1S/C20H19N3O3/c1-25-17-8-7-14(10-18(17)26-2)15-9-16(19(21)23-11-15)12-3-5-13(6-4-12)20(22)24/h3-11H,1-2H3,(H2,21,23)(H2,22,24)
InChIKeyGZNHQUIWGRBEIG-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.11
Rot. Bonds5

About 4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]benzamide

4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]benzamide (PubChem CID 44525558) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]benzamide
PubChem CID44525558
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]benzamide
SMILESCOc1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)cc1OC
InChIInChI=1S/C20H19N3O3/c1-25-17-8-7-14(10-18(17)26-2)15-9-16(19(21)23-11-15)12-3-5-13(6-4-12)20(22)24/h3-11H,1-2H3,(H2,21,23)(H2,22,24)
InChIKeyGZNHQUIWGRBEIG-UHFFFAOYSA-N
XLogP3.11
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]benzamide (CID 44525558) is 4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]benzamide is COc1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)cc1OC.
What is the InChIKey of 4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]benzamide?
The InChIKey is GZNHQUIWGRBEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-17-8-7-14(10-18(17)26-2)15-9-16(19(21)23-11-15)12-3-5-13(6-4-12)20(22)24/h3-11H,1-2H3,(H2,21,23)(H2,22,24).
What are the key properties of 4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]benzamide?
4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]benzamide has a molecular weight of 349.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 44525558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).