N-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide

C15H14F2N2O2 — CID 105380764

IUPACN-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide
SMILESCCOc1cccc(CNC(=O)c2ccnc(F)c2F)c1
InChIInChI=1S/C15H14F2N2O2/c1-2-21-11-5-3-4-10(8-11)9-19-15(20)12-6-7-18-14(17)13(12)16/h3-8H,2,9H2,1H3,(H,19,20)
InChIKeyYAOQUJVPVRVVHU-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.69
Rot. Bonds5

About N-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide

N-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide (PubChem CID 105380764) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide
PubChem CID105380764
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC NameN-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide
SMILESCCOc1cccc(CNC(=O)c2ccnc(F)c2F)c1
InChIInChI=1S/C15H14F2N2O2/c1-2-21-11-5-3-4-10(8-11)9-19-15(20)12-6-7-18-14(17)13(12)16/h3-8H,2,9H2,1H3,(H,19,20)
InChIKeyYAOQUJVPVRVVHU-UHFFFAOYSA-N
XLogP2.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380453
N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 105381021
4-chloro-N-[(3-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 56920573
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide
CID 78984271
2-benzoyl-N-[(3-ethoxyphenyl)methyl]benzamide
CID 55843893
6-[(3-ethoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 75513273
N-[2-(diethylamino)-2-oxoethyl]-2,3-difluoropyridine-4-carboxamide
CID 105381540
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765
2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105381189
N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 92683249
N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78900659
2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 110779927

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide (CID 105380764) is N-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide is CCOc1cccc(CNC(=O)c2ccnc(F)c2F)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide?
The InChIKey is YAOQUJVPVRVVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-2-21-11-5-3-4-10(8-11)9-19-15(20)12-6-7-18-14(17)13(12)16/h3-8H,2,9H2,1H3,(H,19,20).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide?
N-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide has a molecular weight of 292.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 105380764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).