N-(5-fluoro-2-pyridinyl)-6-methyl-4-(thietan-3-yloxy)pyridine-2-carboxamide

C15H14FN3O2S — CID 118612923

IUPACN-(5-fluoro-2-pyridinyl)-6-methyl-4-(thietan-3-yloxy)pyridine-2-carboxamide
SMILESCc1cc(OC2CSC2)cc(C(=O)Nc2ccc(F)cn2)n1
InChIInChI=1S/C15H14FN3O2S/c1-9-4-11(21-12-7-22-8-12)5-13(18-9)15(20)19-14-3-2-10(16)6-17-14/h2-6,12H,7-8H2,1H3,(H,17,19,20)
InChIKeyUXIAQGQIUOEQPG-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.67
Rot. Bonds4

About N-(5-fluoro-2-pyridinyl)-6-methyl-4-(thietan-3-yloxy)pyridine-2-carboxamide

N-(5-fluoro-2-pyridinyl)-6-methyl-4-(thietan-3-yloxy)pyridine-2-carboxamide (PubChem CID 118612923) has the molecular formula C15H14FN3O2S and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-6-methyl-4-(thietan-3-yloxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-6-methyl-4-(thietan-3-yloxy)pyridine-2-carboxamide
PubChem CID118612923
Molecular FormulaC15H14FN3O2S
Molecular Weight319.36 g/mol
Exact Mass319.08
IUPAC NameN-(5-fluoro-2-pyridinyl)-6-methyl-4-(thietan-3-yloxy)pyridine-2-carboxamide
SMILESCc1cc(OC2CSC2)cc(C(=O)Nc2ccc(F)cn2)n1
InChIInChI=1S/C15H14FN3O2S/c1-9-4-11(21-12-7-22-8-12)5-13(18-9)15(20)19-14-3-2-10(16)6-17-14/h2-6,12H,7-8H2,1H3,(H,17,19,20)
InChIKeyUXIAQGQIUOEQPG-UHFFFAOYSA-N
XLogP2.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide
CID 155540022
N-(5-fluoro-2-pyridinyl)-4-[(2S)-2-methoxypropoxy]-6-methylpyridine-2-carboxamide
CID 118613122
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-2-ylmethoxy)pyridine-2-carboxamide
CID 118612900
4-cyano-N-(5-fluoro-2-pyridinyl)-3,6-dimethylpyridine-2-carboxamide
CID 46899182
2-chloro-5-fluoro-N-(5-fluoro-2-pyridinyl)pyridine-3-carboxamide
CID 103893264
N-(5-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 63235854
[2-[(5-fluoro-2-pyridinyl)carbamoyl]-4-methylphenyl]oxidanium
CID 163865658
2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide
CID 62877597
6-chloro-N-(5-fluoro-2-pyridinyl)pyridine-2-carboxamide
CID 63236254
4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 67164027
3,5-diamino-N-(5-fluoro-2-pyridinyl)benzamide
CID 65482634
N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 155700089

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-6-methyl-4-(thietan-3-yloxy)pyridine-2-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-6-methyl-4-(thietan-3-yloxy)pyridine-2-carboxamide (CID 118612923) is N-(5-fluoro-2-pyridinyl)-6-methyl-4-(thietan-3-yloxy)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-6-methyl-4-(thietan-3-yloxy)pyridine-2-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-6-methyl-4-(thietan-3-yloxy)pyridine-2-carboxamide is Cc1cc(OC2CSC2)cc(C(=O)Nc2ccc(F)cn2)n1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-6-methyl-4-(thietan-3-yloxy)pyridine-2-carboxamide?
The InChIKey is UXIAQGQIUOEQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S/c1-9-4-11(21-12-7-22-8-12)5-13(18-9)15(20)19-14-3-2-10(16)6-17-14/h2-6,12H,7-8H2,1H3,(H,17,19,20).
What are the key properties of N-(5-fluoro-2-pyridinyl)-6-methyl-4-(thietan-3-yloxy)pyridine-2-carboxamide?
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(thietan-3-yloxy)pyridine-2-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-6-methyl-4-(thietan-3-yloxy)pyridine-2-carboxamide is sourced from PubChem (CID 118612923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).