N-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide

C15H16FN3O — CID 104785376

IUPACN-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)c1cncc(F)c1
InChIInChI=1S/C15H16FN3O/c1-2-19(10-11-3-5-14(17)6-4-11)15(20)12-7-13(16)9-18-8-12/h3-9H,2,10,17H2,1H3
InChIKeyZFDJDVFQKCITHQ-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.47
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide

N-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide (PubChem CID 104785376) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide
PubChem CID104785376
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)c1cncc(F)c1
InChIInChI=1S/C15H16FN3O/c1-2-19(10-11-3-5-14(17)6-4-11)15(20)12-7-13(16)9-18-8-12/h3-9H,2,10,17H2,1H3
InChIKeyZFDJDVFQKCITHQ-UHFFFAOYSA-N
XLogP2.47
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 43458748
N-[(4-aminophenyl)methyl]-3-bromo-N-ethyl-4-fluorobenzamide
CID 107948752
N-[(3,4-difluorophenyl)methyl]-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 63858873
N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide
CID 107365924
N-[(4-aminophenyl)methyl]-N-ethyl-2-fluoro-6-hydroxybenzamide
CID 107013078
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluorobenzamide
CID 43458961
N-[(3-aminophenyl)methyl]-N-ethylpyrimidine-5-carboxamide
CID 102921247
N-[(3,4-dichlorophenyl)methyl]-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 75496845
2-[carboxymethyl-(5-fluoropyridine-3-carbonyl)amino]acetic acid
CID 104785578
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832
N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109234812
N-[(4-aminophenyl)methyl]-N-ethyl-3-methylpyridine-2-carboxamide
CID 62340438

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide (CID 104785376) is N-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide is CCN(Cc1ccc(N)cc1)C(=O)c1cncc(F)c1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide?
The InChIKey is ZFDJDVFQKCITHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-2-19(10-11-3-5-14(17)6-4-11)15(20)12-7-13(16)9-18-8-12/h3-9H,2,10,17H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide?
N-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 104785376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).