N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide

C14H14N2O2 — CID 3043417

IUPACN-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cccnc1
InChIInChI=1S/C14H14N2O2/c17-13-5-3-11(4-6-13)7-9-16-14(18)12-2-1-8-15-10-12/h1-6,8,10,17H,7,9H2,(H,16,18)
InChIKeyVSEZXJMDHJEHMN-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.76
Rot. Bonds4

About N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 3043417) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID3043417
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cccnc1
InChIInChI=1S/C14H14N2O2/c17-13-5-3-11(4-6-13)7-9-16-14(18)12-2-1-8-15-10-12/h1-6,8,10,17H,7,9H2,(H,16,18)
InChIKeyVSEZXJMDHJEHMN-UHFFFAOYSA-N
XLogP1.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide (CID 3043417) is N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide is O=C(NCCc1ccc(O)cc1)c1cccnc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is VSEZXJMDHJEHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-13-5-3-11(4-6-13)7-9-16-14(18)12-2-1-8-15-10-12/h1-6,8,10,17H,7,9H2,(H,16,18).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 3043417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).