N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

C24H21FN4OS — CID 67268244

IUPACN-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2nc3ccccc3s2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H21FN4OS/c25-18-5-3-4-16(14-18)20-9-8-17(15-26-20)23(30)27-19-10-12-29(13-11-19)24-28-21-6-1-2-7-22(21)31-24/h1-9,14-15,19H,10-13H2,(H,27,30)
InChIKeyPKXUBSQZQUEDIM-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.90
Rot. Bonds4

About N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 67268244) has the molecular formula C24H21FN4OS and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID67268244
Molecular FormulaC24H21FN4OS
Molecular Weight432.52 g/mol
Exact Mass432.14
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2nc3ccccc3s2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H21FN4OS/c25-18-5-3-4-16(14-18)20-9-8-17(15-26-20)23(30)27-19-10-12-29(13-11-19)24-28-21-6-1-2-7-22(21)31-24/h1-9,14-15,19H,10-13H2,(H,27,30)
InChIKeyPKXUBSQZQUEDIM-UHFFFAOYSA-N
XLogP4.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-fluorophenyl)-N-[1-[6-(methoxymethyl)-2-phenylpyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268045
6-(3-fluorophenyl)-N-[1-[5-(morpholine-4-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
CID 24991043
methyl 2-amino-4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyrimidine-5-carboxylate
CID 67267625
6-(3-fluorophenyl)-N-[1-[3-(1,3-thiazole-2-carbonyl)-2-pyridinyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268386
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67267093
N-[4-(dimethylcarbamoylamino)cyclohexyl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 59401474
6-(3-fluorophenyl)-N-[1-[4-[2-(2-hydroxyethyl)phenyl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268693
4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]butylcarbamic acid
CID 67267712
N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67268195
6-(3-fluorophenyl)-N-[1-[(4-pyrimidin-2-ylphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67268686
N-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67267282
N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67268177

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (CID 67268244) is N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is O=C(NC1CCN(c2nc3ccccc3s2)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is PKXUBSQZQUEDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4OS/c25-18-5-3-4-16(14-18)20-9-8-17(15-26-20)23(30)27-19-10-12-29(13-11-19)24-28-21-6-1-2-7-22(21)31-24/h1-9,14-15,19H,10-13H2,(H,27,30).
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 67268244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).