4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide

C13H13N3O2 — CID 107073933

IUPAC4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(N)c(O)c2)c1
InChIInChI=1S/C13H13N3O2/c1-8-4-5-15-12(6-8)16-13(18)9-2-3-10(14)11(17)7-9/h2-7,17H,14H2,1H3,(H,15,16,18)
InChIKeyBFPZTVNFSUQOPQ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.93
Rot. Bonds2

About 4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide

4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 107073933) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID107073933
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(N)c(O)c2)c1
InChIInChI=1S/C13H13N3O2/c1-8-4-5-15-12(6-8)16-13(18)9-2-3-10(14)11(17)7-9/h2-7,17H,14H2,1H3,(H,15,16,18)
InChIKeyBFPZTVNFSUQOPQ-UHFFFAOYSA-N
XLogP1.93
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide
CID 62682844
4-iodo-N-(4-methyl-2-pyridinyl)benzamide
CID 21204751
3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 113349571
4-benzamido-N-(4-methyl-2-pyridinyl)benzamide
CID 17153203
3-hydroxy-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 54861359
4-amino-N-(5-bromo-2-pyridinyl)-3-hydroxybenzamide
CID 107073952
2-N-(4-methyl-2-pyridinyl)pyridine-2,5-dicarboxamide
CID 47084943
4-amino-N-(2-chloro-5-methylphenyl)-3-hydroxybenzamide
CID 107624052
4-amino-6-methyl-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81236114
3-amino-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 81090250
4-amino-N-(4-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 63107417
3-amino-N-(4-methyl-2-pyridinyl)naphthalene-2-carboxamide
CID 61207819

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide (CID 107073933) is 4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2ccc(N)c(O)c2)c1.
What is the InChIKey of 4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is BFPZTVNFSUQOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-4-5-15-12(6-8)16-13(18)9-2-3-10(14)11(17)7-9/h2-7,17H,14H2,1H3,(H,15,16,18).
What are the key properties of 4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide?
4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 243.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 107073933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).