N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide

C15H17N3O2 — CID 81446026

IUPACN-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide
SMILESCCCN(C(=O)c1ccncc1O)c1ccc(N)cc1
InChIInChI=1S/C15H17N3O2/c1-2-9-18(12-5-3-11(16)4-6-12)15(20)13-7-8-17-10-14(13)19/h3-8,10,19H,2,9,16H2,1H3
InChIKeyZUTRHCKGYIBTOE-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.43
Rot. Bonds4

About N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide

N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide (PubChem CID 81446026) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide
PubChem CID81446026
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide
SMILESCCCN(C(=O)c1ccncc1O)c1ccc(N)cc1
InChIInChI=1S/C15H17N3O2/c1-2-9-18(12-5-3-11(16)4-6-12)15(20)13-7-8-17-10-14(13)19/h3-8,10,19H,2,9,16H2,1H3
InChIKeyZUTRHCKGYIBTOE-UHFFFAOYSA-N
XLogP2.43
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81440121
N-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide
CID 81445429
N-(4-aminophenyl)-N-propylpyridazine-4-carboxamide
CID 104669257
N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81445579
N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81446513
N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63233675
3-amino-N-ethyl-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 105069018
N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide
CID 81111009
1-(4-aminophenyl)-3-ethyl-1-propylurea
CID 63234160
N-(4-aminophenyl)-2-bromo-4-fluoro-N-propylbenzamide
CID 63234104
3-hydroxy-N-methyl-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 80707419
N-(4-aminophenyl)-N-propylthiophene-2-carboxamide
CID 63233977

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide?
The IUPAC name of N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide (CID 81446026) is N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide is CCCN(C(=O)c1ccncc1O)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide?
The InChIKey is ZUTRHCKGYIBTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-9-18(12-5-3-11(16)4-6-12)15(20)13-7-8-17-10-14(13)19/h3-8,10,19H,2,9,16H2,1H3.
What are the key properties of N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide?
N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 81446026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).