N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C20H24FN3OS — CID 86880058

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)(C)c1nc(CNC(=O)N2CC=C(c3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C20H24FN3OS/c1-20(2,3)18-23-17(13-26-18)12-22-19(25)24-10-8-15(9-11-24)14-4-6-16(21)7-5-14/h4-8,13H,9-12H2,1-3H3,(H,22,25)
InChIKeyPRHFNVLKRIMIPN-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.58
Rot. Bonds3

About N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 86880058) has the molecular formula C20H24FN3OS and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID86880058
Molecular FormulaC20H24FN3OS
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)(C)c1nc(CNC(=O)N2CC=C(c3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C20H24FN3OS/c1-20(2,3)18-23-17(13-26-18)12-22-19(25)24-10-8-15(9-11-24)14-4-6-16(21)7-5-14/h4-8,13H,9-12H2,1-3H3,(H,22,25)
InChIKeyPRHFNVLKRIMIPN-UHFFFAOYSA-N
XLogP4.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 86880058) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is CC(C)(C)c1nc(CNC(=O)N2CC=C(c3ccc(F)cc3)CC2)cs1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is PRHFNVLKRIMIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3OS/c1-20(2,3)18-23-17(13-26-18)12-22-19(25)24-10-8-15(9-11-24)14-4-6-16(21)7-5-14/h4-8,13H,9-12H2,1-3H3,(H,22,25).
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 86880058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).