N-(3-cyano-4-phenylmethoxyphenyl)pyridine-4-carboxamide

C20H15N3O2 — CID 141478670

IUPACN-(3-cyano-4-phenylmethoxyphenyl)pyridine-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2ccncc2)ccc1OCc1ccccc1
InChIInChI=1S/C20H15N3O2/c21-13-17-12-18(23-20(24)16-8-10-22-11-9-16)6-7-19(17)25-14-15-4-2-1-3-5-15/h1-12H,14H2,(H,23,24)
InChIKeyMDGUDOAUROXQNT-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.78
Rot. Bonds5

About N-(3-cyano-4-phenylmethoxyphenyl)pyridine-4-carboxamide

N-(3-cyano-4-phenylmethoxyphenyl)pyridine-4-carboxamide (PubChem CID 141478670) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(3-cyano-4-phenylmethoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-phenylmethoxyphenyl)pyridine-4-carboxamide
PubChem CID141478670
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC NameN-(3-cyano-4-phenylmethoxyphenyl)pyridine-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2ccncc2)ccc1OCc1ccccc1
InChIInChI=1S/C20H15N3O2/c21-13-17-12-18(23-20(24)16-8-10-22-11-9-16)6-7-19(17)25-14-15-4-2-1-3-5-15/h1-12H,14H2,(H,23,24)
InChIKeyMDGUDOAUROXQNT-UHFFFAOYSA-N
XLogP3.78
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-phenylmethoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(3-cyano-4-phenylmethoxyphenyl)pyridine-4-carboxamide (CID 141478670) is N-(3-cyano-4-phenylmethoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyano-4-phenylmethoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-cyano-4-phenylmethoxyphenyl)pyridine-4-carboxamide is N#Cc1cc(NC(=O)c2ccncc2)ccc1OCc1ccccc1.
What is the InChIKey of N-(3-cyano-4-phenylmethoxyphenyl)pyridine-4-carboxamide?
The InChIKey is MDGUDOAUROXQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c21-13-17-12-18(23-20(24)16-8-10-22-11-9-16)6-7-19(17)25-14-15-4-2-1-3-5-15/h1-12H,14H2,(H,23,24).
What are the key properties of N-(3-cyano-4-phenylmethoxyphenyl)pyridine-4-carboxamide?
N-(3-cyano-4-phenylmethoxyphenyl)pyridine-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-phenylmethoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 141478670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).