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

C20H18N4O2 — CID 46229842

IUPAC4-[5-(3-acetamidophenyl)-2-amino-3-pyridinyl]benzamide
SMILESCC(=O)Nc1cccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)c1
InChIInChI=1S/C20H18N4O2/c1-12(25)24-17-4-2-3-15(9-17)16-10-18(19(21)23-11-16)13-5-7-14(8-6-13)20(22)26/h2-11H,1H3,(H2,21,23)(H2,22,26)(H,24,25)
InChIKeyIZRPCTBOGOWYIC-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.06
Rot. Bonds4

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

4-[5-(3-acetamidophenyl)-2-amino-3-pyridinyl]benzamide (PubChem CID 46229842) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[5-(3-acetamidophenyl)-2-amino-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[5-(3-acetamidophenyl)-2-amino-3-pyridinyl]benzamide
PubChem CID46229842
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-[5-(3-acetamidophenyl)-2-amino-3-pyridinyl]benzamide
SMILESCC(=O)Nc1cccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)c1
InChIInChI=1S/C20H18N4O2/c1-12(25)24-17-4-2-3-15(9-17)16-10-18(19(21)23-11-16)13-5-7-14(8-6-13)20(22)26/h2-11H,1H3,(H2,21,23)(H2,22,26)(H,24,25)
InChIKeyIZRPCTBOGOWYIC-UHFFFAOYSA-N
XLogP3.06
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-acetamidophenyl)-2-amino-3-pyridinyl]benzamide?
The IUPAC name of 4-[5-(3-acetamidophenyl)-2-amino-3-pyridinyl]benzamide (CID 46229842) is 4-[5-(3-acetamidophenyl)-2-amino-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[5-(3-acetamidophenyl)-2-amino-3-pyridinyl]benzamide?
The canonical SMILES for 4-[5-(3-acetamidophenyl)-2-amino-3-pyridinyl]benzamide is CC(=O)Nc1cccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)c1.
What is the InChIKey of 4-[5-(3-acetamidophenyl)-2-amino-3-pyridinyl]benzamide?
The InChIKey is IZRPCTBOGOWYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-12(25)24-17-4-2-3-15(9-17)16-10-18(19(21)23-11-16)13-5-7-14(8-6-13)20(22)26/h2-11H,1H3,(H2,21,23)(H2,22,26)(H,24,25).
What are the key properties of 4-[5-(3-acetamidophenyl)-2-amino-3-pyridinyl]benzamide?
4-[5-(3-acetamidophenyl)-2-amino-3-pyridinyl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-acetamidophenyl)-2-amino-3-pyridinyl]benzamide is sourced from PubChem (CID 46229842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).