N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide

C22H21FN2O — CID 138674657

IUPACN-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCCCc2ccc(-c3ccccc3F)cc2)c1
InChIInChI=1S/C22H21FN2O/c1-16-13-19(15-24-14-16)22(26)25-12-4-5-17-8-10-18(11-9-17)20-6-2-3-7-21(20)23/h2-3,6-11,13-15H,4-5,12H2,1H3,(H,25,26)
InChIKeyLBONOCCEPMTNEU-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.56
Rot. Bonds6

About N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide

N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide (PubChem CID 138674657) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide
PubChem CID138674657
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC NameN-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCCCc2ccc(-c3ccccc3F)cc2)c1
InChIInChI=1S/C22H21FN2O/c1-16-13-19(15-24-14-16)22(26)25-12-4-5-17-8-10-18(11-9-17)20-6-2-3-7-21(20)23/h2-3,6-11,13-15H,4-5,12H2,1H3,(H,25,26)
InChIKeyLBONOCCEPMTNEU-UHFFFAOYSA-N
XLogP4.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(2-fluorophenyl)phenyl]propyl]-6-methylpyridine-3-carboxamide
CID 138674359
2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide
CID 138674577
5-(2-fluorophenyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 46033116
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide
CID 138674443
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138674640
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-2,3-dihydro-1H-benzotriazole-5-carboxamide
CID 176943782
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 138674538
N-[2-(2-chlorophenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 11608789
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide
CID 138674551
5-(2-fluoroanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109239035
5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104300
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 138674482

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide (CID 138674657) is N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)NCCCc2ccc(-c3ccccc3F)cc2)c1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide?
The InChIKey is LBONOCCEPMTNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O/c1-16-13-19(15-24-14-16)22(26)25-12-4-5-17-8-10-18(11-9-17)20-6-2-3-7-21(20)23/h2-3,6-11,13-15H,4-5,12H2,1H3,(H,25,26).
What are the key properties of N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide?
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 138674657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).