N-(2-aminophenyl)-4-[(3-cyano-6-methyl-2-pyridinyl)oxymethyl]benzamide

C21H18N4O2 — CID 20786058

IUPACN-(2-aminophenyl)-4-[(3-cyano-6-methyl-2-pyridinyl)oxymethyl]benzamide
SMILESCc1ccc(C#N)c(OCc2ccc(C(=O)Nc3ccccc3N)cc2)n1
InChIInChI=1S/C21H18N4O2/c1-14-6-9-17(12-22)21(24-14)27-13-15-7-10-16(11-8-15)20(26)25-19-5-3-2-4-18(19)23/h2-11H,13,23H2,1H3,(H,25,26)
InChIKeyWRBPCQULAIVFTP-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.68
Rot. Bonds5

About N-(2-aminophenyl)-4-[(3-cyano-6-methyl-2-pyridinyl)oxymethyl]benzamide

N-(2-aminophenyl)-4-[(3-cyano-6-methyl-2-pyridinyl)oxymethyl]benzamide (PubChem CID 20786058) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(3-cyano-6-methyl-2-pyridinyl)oxymethyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(3-cyano-6-methyl-2-pyridinyl)oxymethyl]benzamide
PubChem CID20786058
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-(2-aminophenyl)-4-[(3-cyano-6-methyl-2-pyridinyl)oxymethyl]benzamide
SMILESCc1ccc(C#N)c(OCc2ccc(C(=O)Nc3ccccc3N)cc2)n1
InChIInChI=1S/C21H18N4O2/c1-14-6-9-17(12-22)21(24-14)27-13-15-7-10-16(11-8-15)20(26)25-19-5-3-2-4-18(19)23/h2-11H,13,23H2,1H3,(H,25,26)
InChIKeyWRBPCQULAIVFTP-UHFFFAOYSA-N
XLogP3.68
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(3-cyano-6-methyl-2-pyridinyl)oxymethyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(3-cyano-6-methyl-2-pyridinyl)oxymethyl]benzamide (CID 20786058) is N-(2-aminophenyl)-4-[(3-cyano-6-methyl-2-pyridinyl)oxymethyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(3-cyano-6-methyl-2-pyridinyl)oxymethyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(3-cyano-6-methyl-2-pyridinyl)oxymethyl]benzamide is Cc1ccc(C#N)c(OCc2ccc(C(=O)Nc3ccccc3N)cc2)n1.
What is the InChIKey of N-(2-aminophenyl)-4-[(3-cyano-6-methyl-2-pyridinyl)oxymethyl]benzamide?
The InChIKey is WRBPCQULAIVFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-6-9-17(12-22)21(24-14)27-13-15-7-10-16(11-8-15)20(26)25-19-5-3-2-4-18(19)23/h2-11H,13,23H2,1H3,(H,25,26).
What are the key properties of N-(2-aminophenyl)-4-[(3-cyano-6-methyl-2-pyridinyl)oxymethyl]benzamide?
N-(2-aminophenyl)-4-[(3-cyano-6-methyl-2-pyridinyl)oxymethyl]benzamide has a molecular weight of 358.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(3-cyano-6-methyl-2-pyridinyl)oxymethyl]benzamide is sourced from PubChem (CID 20786058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).