4-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide

C18H15N3O2 — CID 126672778

IUPAC4-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)c(-c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C18H15N3O2/c19-17-16(12-5-7-15(22)8-6-12)9-14(10-21-17)11-1-3-13(4-2-11)18(20)23/h1-10,22H,(H2,19,21)(H2,20,23)
InChIKeySHEPDUAQWCDVIW-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.80
Rot. Bonds3

About 4-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide

4-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide (PubChem CID 126672778) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide
PubChem CID126672778
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name4-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)c(-c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C18H15N3O2/c19-17-16(12-5-7-15(22)8-6-12)9-14(10-21-17)11-1-3-13(4-2-11)18(20)23/h1-10,22H,(H2,19,21)(H2,20,23)
InChIKeySHEPDUAQWCDVIW-UHFFFAOYSA-N
XLogP2.80
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide (CID 126672778) is 4-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide is NC(=O)c1ccc(-c2cnc(N)c(-c3ccc(O)cc3)c2)cc1.
What is the InChIKey of 4-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide?
The InChIKey is SHEPDUAQWCDVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c19-17-16(12-5-7-15(22)8-6-12)9-14(10-21-17)11-1-3-13(4-2-11)18(20)23/h1-10,22H,(H2,19,21)(H2,20,23).
What are the key properties of 4-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide?
4-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide has a molecular weight of 305.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(4-hydroxyphenyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 126672778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).