N-ethyl-2-phenylmethoxypyridine-4-carboxamide

C15H16N2O2 — CID 47366269

IUPACN-ethyl-2-phenylmethoxypyridine-4-carboxamide
SMILESCCNC(=O)c1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C15H16N2O2/c1-2-16-15(18)13-8-9-17-14(10-13)19-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,16,18)
InChIKeyHIBOGEKZCLORTB-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.41
Rot. Bonds5

About N-ethyl-2-phenylmethoxypyridine-4-carboxamide

N-ethyl-2-phenylmethoxypyridine-4-carboxamide (PubChem CID 47366269) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-ethyl-2-phenylmethoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-phenylmethoxypyridine-4-carboxamide
PubChem CID47366269
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-ethyl-2-phenylmethoxypyridine-4-carboxamide
SMILESCCNC(=O)c1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C15H16N2O2/c1-2-16-15(18)13-8-9-17-14(10-13)19-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,16,18)
InChIKeyHIBOGEKZCLORTB-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenylmethoxypyridine-4-carboxamide?
The IUPAC name of N-ethyl-2-phenylmethoxypyridine-4-carboxamide (CID 47366269) is N-ethyl-2-phenylmethoxypyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-phenylmethoxypyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2-phenylmethoxypyridine-4-carboxamide is CCNC(=O)c1ccnc(OCc2ccccc2)c1.
What is the InChIKey of N-ethyl-2-phenylmethoxypyridine-4-carboxamide?
The InChIKey is HIBOGEKZCLORTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-16-15(18)13-8-9-17-14(10-13)19-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,16,18).
What are the key properties of N-ethyl-2-phenylmethoxypyridine-4-carboxamide?
N-ethyl-2-phenylmethoxypyridine-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenylmethoxypyridine-4-carboxamide is sourced from PubChem (CID 47366269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).