4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzamide

C14H12N4O2 — CID 106955558

IUPAC4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzamide
SMILESN#Cc1ncccc1COc1cc(N)ccc1C(N)=O
InChIInChI=1S/C14H12N4O2/c15-7-12-9(2-1-5-18-12)8-20-13-6-10(16)3-4-11(13)14(17)19/h1-6H,8,16H2,(H2,17,19)
InChIKeyNOHUPWCMLVFTER-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.21
Rot. Bonds4

About 4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzamide

4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzamide (PubChem CID 106955558) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzamide.

Molecular Properties

Compound Name4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzamide
PubChem CID106955558
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzamide
SMILESN#Cc1ncccc1COc1cc(N)ccc1C(N)=O
InChIInChI=1S/C14H12N4O2/c15-7-12-9(2-1-5-18-12)8-20-13-6-10(16)3-4-11(13)14(17)19/h1-6H,8,16H2,(H2,17,19)
InChIKeyNOHUPWCMLVFTER-UHFFFAOYSA-N
XLogP1.21
TPSA115.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzoic acid
CID 106954817
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
CID 62889971
3-[(2-acetyl-5-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 102948082
3-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
CID 55128345
4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide
CID 106955508
3-[(3-hydroxynaphthalen-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62894437
3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile
CID 62890135
2-[(2-cyanophenyl)methoxy]-4-methoxybenzamide
CID 18089225
4-amino-2-[(4-fluoro-2-methylphenyl)methoxy]benzamide
CID 106955505
3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 55205880
3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile
CID 62895615
[2-[(2-cyano-3-pyridinyl)methoxy]-5-methoxyphenyl]boronic acid
CID 104706075

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzamide?
The IUPAC name of 4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzamide (CID 106955558) is 4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzamide.
What is the SMILES notation for 4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzamide?
The canonical SMILES for 4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzamide is N#Cc1ncccc1COc1cc(N)ccc1C(N)=O.
What is the InChIKey of 4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzamide?
The InChIKey is NOHUPWCMLVFTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-7-12-9(2-1-5-18-12)8-20-13-6-10(16)3-4-11(13)14(17)19/h1-6H,8,16H2,(H2,17,19).
What are the key properties of 4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzamide?
4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzamide has a molecular weight of 268.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzamide is sourced from PubChem (CID 106955558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).