N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide

C21H19FN2O — CID 113234599

IUPACN-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(c1ccc(F)nc1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H19FN2O/c22-20-12-11-19(15-23-20)21(25)24(16-18-9-5-2-6-10-18)14-13-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2
InChIKeyCCTINZPBLQPQLB-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.11
Rot. Bonds6

About N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide

N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 113234599) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID113234599
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC NameN-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(c1ccc(F)nc1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H19FN2O/c22-20-12-11-19(15-23-20)21(25)24(16-18-9-5-2-6-10-18)14-13-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2
InChIKeyCCTINZPBLQPQLB-UHFFFAOYSA-N
XLogP4.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 63978971
6-fluoro-N-[(4-methylphenyl)methyl]-N-propylpyridine-3-carboxamide
CID 63973383
4-fluoro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084436
6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 63972769
N-benzyl-4-nitro-N-(2-phenylethyl)benzamide
CID 26881227
N-ethyl-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 63978972
N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride
CID 120649613
N-benzyl-6-methoxy-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 134031302
N,N-bis(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
CID 63979683
N,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide
CID 63971968
N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 110886459
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide (CID 113234599) is N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide is O=C(c1ccc(F)nc1)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is CCTINZPBLQPQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c22-20-12-11-19(15-23-20)21(25)24(16-18-9-5-2-6-10-18)14-13-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2.
What are the key properties of N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide?
N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 334.39 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 113234599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).