N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide

C15H16N2O2 — CID 84509269

IUPACN-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide
SMILESO=C(NCCCc1cccc(O)c1)c1cccnc1
InChIInChI=1S/C15H16N2O2/c18-14-7-1-4-12(10-14)5-2-9-17-15(19)13-6-3-8-16-11-13/h1,3-4,6-8,10-11,18H,2,5,9H2,(H,17,19)
InChIKeyZFHHHDVDYKWUGF-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.15
Rot. Bonds5

About N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide

N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide (PubChem CID 84509269) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide
PubChem CID84509269
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide
SMILESO=C(NCCCc1cccc(O)c1)c1cccnc1
InChIInChI=1S/C15H16N2O2/c18-14-7-1-4-12(10-14)5-2-9-17-15(19)13-6-3-8-16-11-13/h1,3-4,6-8,10-11,18H,2,5,9H2,(H,17,19)
InChIKeyZFHHHDVDYKWUGF-UHFFFAOYSA-N
XLogP2.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide
CID 142242395
N-[2-[3-(3-fluorophenyl)propanoylamino]ethyl]pyridine-3-carboxamide
CID 39578480
N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
CID 158758339
N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 110788258
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
N-octadecylpyridine-3-carboxamide
CID 3547337
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-(3-phenylpropyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235374

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide (CID 84509269) is N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide is O=C(NCCCc1cccc(O)c1)c1cccnc1.
What is the InChIKey of N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide?
The InChIKey is ZFHHHDVDYKWUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-14-7-1-4-12(10-14)5-2-9-17-15(19)13-6-3-8-16-11-13/h1,3-4,6-8,10-11,18H,2,5,9H2,(H,17,19).
What are the key properties of N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide?
N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 84509269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).