N-[(1-cyanocyclohexyl)methylsulfonyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C15H16F3N3O3S — CID 155948503

IUPACN-[(1-cyanocyclohexyl)methylsulfonyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESN#CC1(CS(=O)(=O)NC(=O)c2ccc(C(F)(F)F)cn2)CCCCC1
InChIInChI=1S/C15H16F3N3O3S/c16-15(17,18)11-4-5-12(20-8-11)13(22)21-25(23,24)10-14(9-19)6-2-1-3-7-14/h4-5,8H,1-3,6-7,10H2,(H,21,22)
InChIKeyLXRGVXPMRLMIIJ-UHFFFAOYSA-N
MW375.37 g/mol
LogP2.63
Rot. Bonds4

About N-[(1-cyanocyclohexyl)methylsulfonyl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[(1-cyanocyclohexyl)methylsulfonyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155948503) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[(1-cyanocyclohexyl)methylsulfonyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-cyanocyclohexyl)methylsulfonyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID155948503
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC NameN-[(1-cyanocyclohexyl)methylsulfonyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESN#CC1(CS(=O)(=O)NC(=O)c2ccc(C(F)(F)F)cn2)CCCCC1
InChIInChI=1S/C15H16F3N3O3S/c16-15(17,18)11-4-5-12(20-8-11)13(22)21-25(23,24)10-14(9-19)6-2-1-3-7-14/h4-5,8H,1-3,6-7,10H2,(H,21,22)
InChIKeyLXRGVXPMRLMIIJ-UHFFFAOYSA-N
XLogP2.63
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(bromomethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909406
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 116547155
N-[(1-cyanocyclohexyl)methylsulfonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167922189
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909451
N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115664962
N-(cyanomethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113229640
N-(2-aminocycloheptyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909182
2-N-[(1-cyanocyclopentyl)methylsulfonyl]thiophene-2,4-dicarboxamide
CID 75449611
N-(5-chloropyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107595663
(Z)-3-(2,6-dichlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enenitrile
CID 24662540
2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]butanoic acid
CID 114908315
5-amino-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 24896989

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyanocyclohexyl)methylsulfonyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[(1-cyanocyclohexyl)methylsulfonyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 155948503) is N-[(1-cyanocyclohexyl)methylsulfonyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(1-cyanocyclohexyl)methylsulfonyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(1-cyanocyclohexyl)methylsulfonyl]-5-(trifluoromethyl)pyridine-2-carboxamide is N#CC1(CS(=O)(=O)NC(=O)c2ccc(C(F)(F)F)cn2)CCCCC1.
What is the InChIKey of N-[(1-cyanocyclohexyl)methylsulfonyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is LXRGVXPMRLMIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c16-15(17,18)11-4-5-12(20-8-11)13(22)21-25(23,24)10-14(9-19)6-2-1-3-7-14/h4-5,8H,1-3,6-7,10H2,(H,21,22).
What are the key properties of N-[(1-cyanocyclohexyl)methylsulfonyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[(1-cyanocyclohexyl)methylsulfonyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 375.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyanocyclohexyl)methylsulfonyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155948503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).