N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide

C15H16N2O2 — CID 6466595

IUPACN-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccncc2)cc1
InChIInChI=1S/C15H16N2O2/c1-11(12-3-5-14(19-2)6-4-12)17-15(18)13-7-9-16-10-8-13/h3-11H,1-2H3,(H,17,18)
InChIKeyJZPDQVMEXCQTIY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.58
Rot. Bonds4

About N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide

N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 6466595) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID6466595
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccncc2)cc1
InChIInChI=1S/C15H16N2O2/c1-11(12-3-5-14(19-2)6-4-12)17-15(18)13-7-9-16-10-8-13/h3-11H,1-2H3,(H,17,18)
InChIKeyJZPDQVMEXCQTIY-UHFFFAOYSA-N
XLogP2.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide (CID 6466595) is N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide is COc1ccc(C(C)NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is JZPDQVMEXCQTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11(12-3-5-14(19-2)6-4-12)17-15(18)13-7-9-16-10-8-13/h3-11H,1-2H3,(H,17,18).
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 6466595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).