N-[3-[4-(2-fluorophenyl)phenyl]-3-hydroxypropyl]-6-methylpyridine-3-carboxamide

C22H21FN2O2 — CID 138674362

IUPACN-[3-[4-(2-fluorophenyl)phenyl]-3-hydroxypropyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCC(O)c2ccc(-c3ccccc3F)cc2)cn1
InChIInChI=1S/C22H21FN2O2/c1-15-6-7-18(14-25-15)22(27)24-13-12-21(26)17-10-8-16(9-11-17)19-4-2-3-5-20(19)23/h2-11,14,21,26H,12-13H2,1H3,(H,24,27)
InChIKeyLZLWXRVUBGERPF-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.05
Rot. Bonds6

About N-[3-[4-(2-fluorophenyl)phenyl]-3-hydroxypropyl]-6-methylpyridine-3-carboxamide

N-[3-[4-(2-fluorophenyl)phenyl]-3-hydroxypropyl]-6-methylpyridine-3-carboxamide (PubChem CID 138674362) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)phenyl]-3-hydroxypropyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)phenyl]-3-hydroxypropyl]-6-methylpyridine-3-carboxamide
PubChem CID138674362
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC NameN-[3-[4-(2-fluorophenyl)phenyl]-3-hydroxypropyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCC(O)c2ccc(-c3ccccc3F)cc2)cn1
InChIInChI=1S/C22H21FN2O2/c1-15-6-7-18(14-25-15)22(27)24-13-12-21(26)17-10-8-16(9-11-17)19-4-2-3-5-20(19)23/h2-11,14,21,26H,12-13H2,1H3,(H,24,27)
InChIKeyLZLWXRVUBGERPF-UHFFFAOYSA-N
XLogP4.05
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(2-fluorophenyl)phenyl]propyl]-6-methylpyridine-3-carboxamide
CID 138674359
N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 111471949
N-(3-bromobutyl)-6-methylpyridine-3-carboxamide
CID 114312474
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
6-(diethylamino)-N-(3-hydroxy-3-phenylpropyl)pyridine-3-carboxamide
CID 111471680
N-(3-hydroxy-3-phenylpropyl)-5-methylpyrazine-2-carboxamide
CID 111471624
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
N-[2-[5-(2-fluorophenyl)pyrimidin-2-yl]oxyethyl]-4-methylbenzamide
CID 162753036
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-6-methylpyridine-3-carboxamide
CID 111424671
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976
6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide
CID 6498633
5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide
CID 97051849

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)phenyl]-3-hydroxypropyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)phenyl]-3-hydroxypropyl]-6-methylpyridine-3-carboxamide (CID 138674362) is N-[3-[4-(2-fluorophenyl)phenyl]-3-hydroxypropyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)phenyl]-3-hydroxypropyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)phenyl]-3-hydroxypropyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCC(O)c2ccc(-c3ccccc3F)cc2)cn1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)phenyl]-3-hydroxypropyl]-6-methylpyridine-3-carboxamide?
The InChIKey is LZLWXRVUBGERPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-15-6-7-18(14-25-15)22(27)24-13-12-21(26)17-10-8-16(9-11-17)19-4-2-3-5-20(19)23/h2-11,14,21,26H,12-13H2,1H3,(H,24,27).
What are the key properties of N-[3-[4-(2-fluorophenyl)phenyl]-3-hydroxypropyl]-6-methylpyridine-3-carboxamide?
N-[3-[4-(2-fluorophenyl)phenyl]-3-hydroxypropyl]-6-methylpyridine-3-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)phenyl]-3-hydroxypropyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 138674362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).