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

C19H17N3O3 — CID 44520782

IUPAC4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]benzamide
SMILESCOc1cc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)ccc1O
InChIInChI=1S/C19H17N3O3/c1-25-17-9-13(6-7-16(17)23)14-8-15(18(20)22-10-14)11-2-4-12(5-3-11)19(21)24/h2-10,23H,1H3,(H2,20,22)(H2,21,24)
InChIKeyMGGHBVJICDPMQM-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.81
Rot. Bonds4

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

4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]benzamide (PubChem CID 44520782) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]benzamide
PubChem CID44520782
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]benzamide
SMILESCOc1cc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)ccc1O
InChIInChI=1S/C19H17N3O3/c1-25-17-9-13(6-7-16(17)23)14-8-15(18(20)22-10-14)11-2-4-12(5-3-11)19(21)24/h2-10,23H,1H3,(H2,20,22)(H2,21,24)
InChIKeyMGGHBVJICDPMQM-UHFFFAOYSA-N
XLogP2.81
TPSA111.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]benzamide?
The IUPAC name of 4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]benzamide (CID 44520782) is 4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]benzamide is COc1cc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)c2)ccc1O.
What is the InChIKey of 4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]benzamide?
The InChIKey is MGGHBVJICDPMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-25-17-9-13(6-7-16(17)23)14-8-15(18(20)22-10-14)11-2-4-12(5-3-11)19(21)24/h2-10,23H,1H3,(H2,20,22)(H2,21,24).
What are the key properties of 4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]benzamide?
4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]benzamide has a molecular weight of 335.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(4-hydroxy-3-methoxyphenyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 44520782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).