N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C22H25FN2O — CID 3780951

IUPACN-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O/c1-22(2,3)19-6-4-5-7-20(19)24-21(26)25-14-12-17(13-15-25)16-8-10-18(23)11-9-16/h4-12H,13-15H2,1-3H3,(H,24,26)
InChIKeyITKFKYSUQQOTMY-UHFFFAOYSA-N
MW352.45 g/mol
LogP5.44
Rot. Bonds2

About N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 3780951) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID3780951
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC NameN-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)N1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O/c1-22(2,3)19-6-4-5-7-20(19)24-21(26)25-14-12-17(13-15-25)16-8-10-18(23)11-9-16/h4-12H,13-15H2,1-3H3,(H,24,26)
InChIKeyITKFKYSUQQOTMY-UHFFFAOYSA-N
XLogP5.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 4987994
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 86880058
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 86912636
N-(4-fluorophenyl)-3-phenyl-2,5-dihydropyrrole-1-carboxamide
CID 75401002
N-(2-tert-butylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113112648
N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide
CID 113103174
4-tert-butyl-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 155302297
N-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 46277479
N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3790965
N-[2-(cyclopropylmethoxy)ethyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 86900715
N-(2-tert-butylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 109000452

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 3780951) is N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is CC(C)(C)c1ccccc1NC(=O)N1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is ITKFKYSUQQOTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-22(2,3)19-6-4-5-7-20(19)24-21(26)25-14-12-17(13-15-25)16-8-10-18(23)11-9-16/h4-12H,13-15H2,1-3H3,(H,24,26).
What are the key properties of N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 352.45 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 3780951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).