N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide

C22H25FN4O2S — CID 42939342

IUPACN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCc1noc(C)c1CSc1ncccc1C(=O)NCC(c1cccc(F)c1)N(C)C
InChIInChI=1S/C22H25FN4O2S/c1-14-19(15(2)29-26-14)13-30-22-18(9-6-10-24-22)21(28)25-12-20(27(3)4)16-7-5-8-17(23)11-16/h5-11,20H,12-13H2,1-4H3,(H,25,28)
InChIKeyLBJYJKZGWPJULV-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.15
Rot. Bonds8

About N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide (PubChem CID 42939342) has the molecular formula C22H25FN4O2S and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
PubChem CID42939342
Molecular FormulaC22H25FN4O2S
Molecular Weight428.53 g/mol
Exact Mass428.17
IUPAC NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
SMILESCc1noc(C)c1CSc1ncccc1C(=O)NCC(c1cccc(F)c1)N(C)C
InChIInChI=1S/C22H25FN4O2S/c1-14-19(15(2)29-26-14)13-30-22-18(9-6-10-24-22)21(28)25-12-20(27(3)4)16-7-5-8-17(23)11-16/h5-11,20H,12-13H2,1-4H3,(H,25,28)
InChIKeyLBJYJKZGWPJULV-UHFFFAOYSA-N
XLogP4.15
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide
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N-[2-(dimethylamino)-2-phenylethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 84603506
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
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CID 99845318
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 51953591
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2S)-heptan-2-yl]pyridine-3-carboxamide
CID 29363996
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CID 55374437
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 8011618
N-[4-(diethylcarbamoyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 30888639

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide (CID 42939342) is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide is Cc1noc(C)c1CSc1ncccc1C(=O)NCC(c1cccc(F)c1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide?
The InChIKey is LBJYJKZGWPJULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2S/c1-14-19(15(2)29-26-14)13-30-22-18(9-6-10-24-22)21(28)25-12-20(27(3)4)16-7-5-8-17(23)11-16/h5-11,20H,12-13H2,1-4H3,(H,25,28).
What are the key properties of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide?
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide is sourced from PubChem (CID 42939342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).