N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methoxypyridine-4-carboxamide

C15H17N3O3 — CID 105062977

IUPACN-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NCC(O)c1ccc(N)cc1
InChIInChI=1S/C15H17N3O3/c1-21-14-9-17-7-6-12(14)15(20)18-8-13(19)10-2-4-11(16)5-3-10/h2-7,9,13,19H,8,16H2,1H3,(H,18,20)
InChIKeyDWMGPLSIARDQCX-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.14
Rot. Bonds5

About N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methoxypyridine-4-carboxamide

N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methoxypyridine-4-carboxamide (PubChem CID 105062977) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methoxypyridine-4-carboxamide
PubChem CID105062977
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NCC(O)c1ccc(N)cc1
InChIInChI=1S/C15H17N3O3/c1-21-14-9-17-7-6-12(14)15(20)18-8-13(19)10-2-4-11(16)5-3-10/h2-7,9,13,19H,8,16H2,1H3,(H,18,20)
InChIKeyDWMGPLSIARDQCX-UHFFFAOYSA-N
XLogP1.14
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
N-(2-bromo-3-methylbutyl)-3-methoxypyridine-4-carboxamide
CID 105064608
3-methoxy-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 105064057
N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide
CID 105064561
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 111458220
N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide
CID 106243160
N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide
CID 106843109
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104669133
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide
CID 43461464
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775
N-[(2-hydroxyphenyl)methyl]-3-methoxypyridine-4-carboxamide
CID 105063699

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methoxypyridine-4-carboxamide (CID 105062977) is N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)NCC(O)c1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methoxypyridine-4-carboxamide?
The InChIKey is DWMGPLSIARDQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-14-9-17-7-6-12(14)15(20)18-8-13(19)10-2-4-11(16)5-3-10/h2-7,9,13,19H,8,16H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methoxypyridine-4-carboxamide?
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methoxypyridine-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105062977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).