[6-(2-amino-2-methylpropyl)sulfanyl-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone

C16H17F3N4OS — CID 78324602

IUPAC[6-(2-amino-2-methylpropyl)sulfanyl-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone
SMILESCC(C)(N)CSc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1
InChIInChI=1S/C16H17F3N4OS/c1-15(2,21)8-25-11-6-5-10(16(17,18)19)12(23-11)13(24)9-4-3-7-22-14(9)20/h3-7H,8,21H2,1-2H3,(H2,20,22)
InChIKeyMUQGMYUKYHALER-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.14
Rot. Bonds5

About [6-(2-amino-2-methylpropyl)sulfanyl-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone

[6-(2-amino-2-methylpropyl)sulfanyl-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone (PubChem CID 78324602) has the molecular formula C16H17F3N4OS and a molecular weight of 370.40 g/mol. Its IUPAC name is [6-(2-amino-2-methylpropyl)sulfanyl-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone.

Molecular Properties

Compound Name[6-(2-amino-2-methylpropyl)sulfanyl-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone
PubChem CID78324602
Molecular FormulaC16H17F3N4OS
Molecular Weight370.40 g/mol
Exact Mass370.11
IUPAC Name[6-(2-amino-2-methylpropyl)sulfanyl-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone
SMILESCC(C)(N)CSc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1
InChIInChI=1S/C16H17F3N4OS/c1-15(2,21)8-25-11-6-5-10(16(17,18)19)12(23-11)13(24)9-4-3-7-22-14(9)20/h3-7H,8,21H2,1-2H3,(H2,20,22)
InChIKeyMUQGMYUKYHALER-UHFFFAOYSA-N
XLogP3.14
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [6-(2-amino-2-methylpropyl)sulfanyl-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone with MolForge

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Related Compounds

2-(2-aminopyridin-4-ylmethylthio)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11164406
4-({[6-amino-3,5-dicyano-4-(3,4-difluorophenyl)pyridin-2-yl]sulfanyl}methyl)-N-methylpyridine-2-carboxamide
CID 56592011
4-[[6-amino-3,5-dicyano-4-(3,5-difluorophenyl)-2-pyridinyl]sulfanylmethyl]-N-methylpyridine-2-carboxamide
CID 68612245
[2,6-Bis(methylsulfanyl)-4-pyridinyl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 162657315
(2-Amino-3-pyridinyl)-(6-amino-2-pyridinyl)methanone
CID 123708036
N-(3,5-dimethylphenyl)-2-[[2-[(2,2,2-trifluoroacetyl)amino]pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide
CID 11317129
2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23150902
2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23150986
2-[(2-aminopyridin-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23151003
2-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23151023
2-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23151068
2-[(2-aminopyridin-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23151100

Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-2-methylpropyl)sulfanyl-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone?
The IUPAC name of [6-(2-amino-2-methylpropyl)sulfanyl-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone (CID 78324602) is [6-(2-amino-2-methylpropyl)sulfanyl-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone.
What is the SMILES notation for [6-(2-amino-2-methylpropyl)sulfanyl-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone?
The canonical SMILES for [6-(2-amino-2-methylpropyl)sulfanyl-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone is CC(C)(N)CSc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.
What is the InChIKey of [6-(2-amino-2-methylpropyl)sulfanyl-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone?
The InChIKey is MUQGMYUKYHALER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4OS/c1-15(2,21)8-25-11-6-5-10(16(17,18)19)12(23-11)13(24)9-4-3-7-22-14(9)20/h3-7H,8,21H2,1-2H3,(H2,20,22).
What are the key properties of [6-(2-amino-2-methylpropyl)sulfanyl-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone?
[6-(2-amino-2-methylpropyl)sulfanyl-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone has a molecular weight of 370.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-2-methylpropyl)sulfanyl-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone is sourced from PubChem (CID 78324602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).