N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide

C13H13N3O2 — CID 43548732

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide
SMILESNc1ccc(O)c(CNC(=O)c2ccncc2)c1
InChIInChI=1S/C13H13N3O2/c14-11-1-2-12(17)10(7-11)8-16-13(18)9-3-5-15-6-4-9/h1-7,17H,8,14H2,(H,16,18)
InChIKeyRQXBLJVNMUVUQD-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.30
Rot. Bonds3

About N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide

N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide (PubChem CID 43548732) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide
PubChem CID43548732
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide
SMILESNc1ccc(O)c(CNC(=O)c2ccncc2)c1
InChIInChI=1S/C13H13N3O2/c14-11-1-2-12(17)10(7-11)8-16-13(18)9-3-5-15-6-4-9/h1-7,17H,8,14H2,(H,16,18)
InChIKeyRQXBLJVNMUVUQD-UHFFFAOYSA-N
XLogP1.30
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[(5-amino-2-hydroxyphenyl)methyl]-4-bromobenzamide
CID 43548733
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
CID 43548729
N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82827346
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 107731132
N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide
CID 106850782
N-[(5-amino-2-hydroxyphenyl)methyl]propanamide
CID 43548596
2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid
CID 81317965
N-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 104638035
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 43548627
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 43548614
N-[(5-amino-2-hydroxyphenyl)methyl]-2-propylpentanamide
CID 82985461
N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 65151478

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide (CID 43548732) is N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide is Nc1ccc(O)c(CNC(=O)c2ccncc2)c1.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is RQXBLJVNMUVUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-11-1-2-12(17)10(7-11)8-16-13(18)9-3-5-15-6-4-9/h1-7,17H,8,14H2,(H,16,18).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide?
N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 43548732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).