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

C15H16FN3O — CID 64948867

IUPACN-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide
SMILESCCN(Cc1cccc(N)c1)C(=O)c1ccncc1F
InChIInChI=1S/C15H16FN3O/c1-2-19(10-11-4-3-5-12(17)8-11)15(20)13-6-7-18-9-14(13)16/h3-9H,2,10,17H2,1H3
InChIKeyVLFRJQZNDLPBKK-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.47
Rot. Bonds4

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

N-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide (PubChem CID 64948867) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide
PubChem CID64948867
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide
SMILESCCN(Cc1cccc(N)c1)C(=O)c1ccncc1F
InChIInChI=1S/C15H16FN3O/c1-2-19(10-11-4-3-5-12(17)8-11)15(20)13-6-7-18-9-14(13)16/h3-9H,2,10,17H2,1H3
InChIKeyVLFRJQZNDLPBKK-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
N-[(3-aminophenyl)methyl]-N-ethylpyrimidine-5-carboxamide
CID 102921247
N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide
CID 43458956
N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide
CID 43459006
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluorobenzamide
CID 43458961
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949261
N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458950
3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 66483932
N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide
CID 106500076
N-[(3-aminophenyl)methyl]-N-ethyl-3-methylpyridine-2-carboxamide
CID 62340614
N-[(3-aminophenyl)methyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 43458991

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide (CID 64948867) is N-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide is CCN(Cc1cccc(N)c1)C(=O)c1ccncc1F.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide?
The InChIKey is VLFRJQZNDLPBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-2-19(10-11-4-3-5-12(17)8-11)15(20)13-6-7-18-9-14(13)16/h3-9H,2,10,17H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide?
N-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-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-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 64948867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).