N'-[6-[(4-fluorophenyl)methoxy]-2-methyl-1,2-dihydropyridin-3-yl]-N-hydroxymethanimidamide

C14H16FN3O2 — CID 142101586

IUPACN'-[6-[(4-fluorophenyl)methoxy]-2-methyl-1,2-dihydropyridin-3-yl]-N-hydroxymethanimidamide
SMILESCC1NC(OCc2ccc(F)cc2)=CC=C1/N=C/NO
InChIInChI=1S/C14H16FN3O2/c1-10-13(16-9-17-19)6-7-14(18-10)20-8-11-2-4-12(15)5-3-11/h2-7,9-10,18-19H,8H2,1H3,(H,16,17)
InChIKeyDMOZMHWNBCQOLR-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.07
Rot. Bonds5

About N'-[6-[(4-fluorophenyl)methoxy]-2-methyl-1,2-dihydropyridin-3-yl]-N-hydroxymethanimidamide

N'-[6-[(4-fluorophenyl)methoxy]-2-methyl-1,2-dihydropyridin-3-yl]-N-hydroxymethanimidamide (PubChem CID 142101586) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N'-[6-[(4-fluorophenyl)methoxy]-2-methyl-1,2-dihydropyridin-3-yl]-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-[6-[(4-fluorophenyl)methoxy]-2-methyl-1,2-dihydropyridin-3-yl]-N-hydroxymethanimidamide
PubChem CID142101586
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN'-[6-[(4-fluorophenyl)methoxy]-2-methyl-1,2-dihydropyridin-3-yl]-N-hydroxymethanimidamide
SMILESCC1NC(OCc2ccc(F)cc2)=CC=C1/N=C/NO
InChIInChI=1S/C14H16FN3O2/c1-10-13(16-9-17-19)6-7-14(18-10)20-8-11-2-4-12(15)5-3-11/h2-7,9-10,18-19H,8H2,1H3,(H,16,17)
InChIKeyDMOZMHWNBCQOLR-UHFFFAOYSA-N
XLogP2.07
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[6-[(4-fluorophenyl)methoxy]-2-methyl-1,2-dihydropyridin-3-yl]-N-hydroxymethanimidamide?
The IUPAC name of N'-[6-[(4-fluorophenyl)methoxy]-2-methyl-1,2-dihydropyridin-3-yl]-N-hydroxymethanimidamide (CID 142101586) is N'-[6-[(4-fluorophenyl)methoxy]-2-methyl-1,2-dihydropyridin-3-yl]-N-hydroxymethanimidamide.
What is the SMILES notation for N'-[6-[(4-fluorophenyl)methoxy]-2-methyl-1,2-dihydropyridin-3-yl]-N-hydroxymethanimidamide?
The canonical SMILES for N'-[6-[(4-fluorophenyl)methoxy]-2-methyl-1,2-dihydropyridin-3-yl]-N-hydroxymethanimidamide is CC1NC(OCc2ccc(F)cc2)=CC=C1/N=C/NO.
What is the InChIKey of N'-[6-[(4-fluorophenyl)methoxy]-2-methyl-1,2-dihydropyridin-3-yl]-N-hydroxymethanimidamide?
The InChIKey is DMOZMHWNBCQOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-10-13(16-9-17-19)6-7-14(18-10)20-8-11-2-4-12(15)5-3-11/h2-7,9-10,18-19H,8H2,1H3,(H,16,17).
What are the key properties of N'-[6-[(4-fluorophenyl)methoxy]-2-methyl-1,2-dihydropyridin-3-yl]-N-hydroxymethanimidamide?
N'-[6-[(4-fluorophenyl)methoxy]-2-methyl-1,2-dihydropyridin-3-yl]-N-hydroxymethanimidamide has a molecular weight of 277.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[(4-fluorophenyl)methoxy]-2-methyl-1,2-dihydropyridin-3-yl]-N-hydroxymethanimidamide is sourced from PubChem (CID 142101586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).