N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

C16H17FN2O2 — CID 63978972

IUPACN-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1ccc(F)nc1
InChIInChI=1S/C16H17FN2O2/c1-3-19(11-12-4-7-14(21-2)8-5-12)16(20)13-6-9-15(17)18-10-13/h4-10H,3,11H2,1-2H3
InChIKeyFSYLPVNXYDROMW-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.89
Rot. Bonds5

About N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 63978972) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID63978972
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)c1ccc(F)nc1
InChIInChI=1S/C16H17FN2O2/c1-3-19(11-12-4-7-14(21-2)8-5-12)16(20)13-6-9-15(17)18-10-13/h4-10H,3,11H2,1-2H3
InChIKeyFSYLPVNXYDROMW-UHFFFAOYSA-N
XLogP2.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 63979680
N-ethyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
CID 75422754
6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide
CID 63973383
3-(difluoromethoxy)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 55761516
2-methoxy-N-[(4-methoxyphenyl)methyl]-N-propylpyrimidine-5-carboxamide
CID 50982044
N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 55594329
methyl 2-[(6-fluoropyridine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63979190
N-(cyclopropylmethyl)-N-ethyl-6-fluoropyridine-3-carboxamide
CID 63979001
N-ethyl-6-fluoro-N-methylpyridine-3-carboxamide
CID 63972560
N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 113234599
N,N-diethyl-4-[[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 55795743
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 63978972) is N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(F)nc1.
What is the InChIKey of N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is FSYLPVNXYDROMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-3-19(11-12-4-7-14(21-2)8-5-12)16(20)13-6-9-15(17)18-10-13/h4-10H,3,11H2,1-2H3.
What are the key properties of N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 288.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 63978972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).