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

C15H16N2O2 — CID 790423

IUPACN-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)8-10-17-15(18)13-3-2-9-16-11-13/h2-7,9,11H,8,10H2,1H3,(H,17,18)
InChIKeyPTRJRRLUUPHYFO-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.06
Rot. Bonds5

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

N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 790423) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID790423
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)8-10-17-15(18)13-3-2-9-16-11-13/h2-7,9,11H,8,10H2,1H3,(H,17,18)
InChIKeyPTRJRRLUUPHYFO-UHFFFAOYSA-N
XLogP2.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide (CID 790423) is N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is PTRJRRLUUPHYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)8-10-17-15(18)13-3-2-9-16-11-13/h2-7,9,11H,8,10H2,1H3,(H,17,18).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 790423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).