N-[2-(3,4-dihydroxyphenyl)ethyl]-1-methyl-4H-pyridine-3-carboxamide

C15H18N2O3 — CID 14050428

IUPACN-[2-(3,4-dihydroxyphenyl)ethyl]-1-methyl-4H-pyridine-3-carboxamide
SMILESCN1C=CCC(C(=O)NCCc2ccc(O)c(O)c2)=C1
InChIInChI=1S/C15H18N2O3/c1-17-8-2-3-12(10-17)15(20)16-7-6-11-4-5-13(18)14(19)9-11/h2,4-5,8-10,18-19H,3,6-7H2,1H3,(H,16,20)
InChIKeyNQOOGLWWLYENTC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.49
Rot. Bonds4

About N-[2-(3,4-dihydroxyphenyl)ethyl]-1-methyl-4H-pyridine-3-carboxamide

N-[2-(3,4-dihydroxyphenyl)ethyl]-1-methyl-4H-pyridine-3-carboxamide (PubChem CID 14050428) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxyphenyl)ethyl]-1-methyl-4H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydroxyphenyl)ethyl]-1-methyl-4H-pyridine-3-carboxamide
PubChem CID14050428
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[2-(3,4-dihydroxyphenyl)ethyl]-1-methyl-4H-pyridine-3-carboxamide
SMILESCN1C=CCC(C(=O)NCCc2ccc(O)c(O)c2)=C1
InChIInChI=1S/C15H18N2O3/c1-17-8-2-3-12(10-17)15(20)16-7-6-11-4-5-13(18)14(19)9-11/h2,4-5,8-10,18-19H,3,6-7H2,1H3,(H,16,20)
InChIKeyNQOOGLWWLYENTC-UHFFFAOYSA-N
XLogP1.49
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-difluorobenzamide
CID 78797271
N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 4142764
2-benzoyl-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 177308540
N-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 25199546
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide
CID 69294862
N-[2-(3,4-dihydroxyphenyl)ethyl]-3,5-difluorobenzamide
CID 78796775
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-methylbenzamide
CID 78796412
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-methoxypropanamide
CID 90161790
N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 78799931
2-benzamido-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 78799601
N-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 75393808
4-cyano-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 78796564

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-1-methyl-4H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dihydroxyphenyl)ethyl]-1-methyl-4H-pyridine-3-carboxamide (CID 14050428) is N-[2-(3,4-dihydroxyphenyl)ethyl]-1-methyl-4H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydroxyphenyl)ethyl]-1-methyl-4H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydroxyphenyl)ethyl]-1-methyl-4H-pyridine-3-carboxamide is CN1C=CCC(C(=O)NCCc2ccc(O)c(O)c2)=C1.
What is the InChIKey of N-[2-(3,4-dihydroxyphenyl)ethyl]-1-methyl-4H-pyridine-3-carboxamide?
The InChIKey is NQOOGLWWLYENTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-17-8-2-3-12(10-17)15(20)16-7-6-11-4-5-13(18)14(19)9-11/h2,4-5,8-10,18-19H,3,6-7H2,1H3,(H,16,20).
What are the key properties of N-[2-(3,4-dihydroxyphenyl)ethyl]-1-methyl-4H-pyridine-3-carboxamide?
N-[2-(3,4-dihydroxyphenyl)ethyl]-1-methyl-4H-pyridine-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydroxyphenyl)ethyl]-1-methyl-4H-pyridine-3-carboxamide is sourced from PubChem (CID 14050428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).