N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C19H17FN4OS — CID 59427388

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cccnc1C1=CCN(C(=O)Nc2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C19H17FN4OS/c1-12-3-2-8-21-17(12)13-6-9-24(10-7-13)19(25)23-18-22-15-5-4-14(20)11-16(15)26-18/h2-6,8,11H,7,9-10H2,1H3,(H,22,23,25)
InChIKeyWYXKWEPOOKSZIF-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.46
Rot. Bonds2

About N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 59427388) has the molecular formula C19H17FN4OS and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID59427388
Molecular FormulaC19H17FN4OS
Molecular Weight368.44 g/mol
Exact Mass368.11
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cccnc1C1=CCN(C(=O)Nc2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C19H17FN4OS/c1-12-3-2-8-21-17(12)13-6-9-24(10-7-13)19(25)23-18-22-15-5-4-14(20)11-16(15)26-18/h2-6,8,11H,7,9-10H2,1H3,(H,22,23,25)
InChIKeyWYXKWEPOOKSZIF-UHFFFAOYSA-N
XLogP4.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 59427388) is N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1cccnc1C1=CCN(C(=O)Nc2nc3ccc(F)cc3s2)CC1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is WYXKWEPOOKSZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4OS/c1-12-3-2-8-21-17(12)13-6-9-24(10-7-13)19(25)23-18-22-15-5-4-14(20)11-16(15)26-18/h2-6,8,11H,7,9-10H2,1H3,(H,22,23,25).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 59427388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).