N-[3-cyano-4-(trifluoromethyl)phenyl]-2-(cyclopentylmethylamino)pyridine-3-carboxamide

C20H19F3N4O — CID 145152864

IUPACN-[3-cyano-4-(trifluoromethyl)phenyl]-2-(cyclopentylmethylamino)pyridine-3-carboxamide
SMILESN#Cc1cc(NC(=O)c2cccnc2NCC2CCCC2)ccc1C(F)(F)F
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)17-8-7-15(10-14(17)11-24)27-19(28)16-6-3-9-25-18(16)26-12-13-4-1-2-5-13/h3,6-10,13H,1-2,4-5,12H2,(H,25,26)(H,27,28)
InChIKeyXIONLVAYPWSRLS-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.83
Rot. Bonds5

About N-[3-cyano-4-(trifluoromethyl)phenyl]-2-(cyclopentylmethylamino)pyridine-3-carboxamide

N-[3-cyano-4-(trifluoromethyl)phenyl]-2-(cyclopentylmethylamino)pyridine-3-carboxamide (PubChem CID 145152864) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[3-cyano-4-(trifluoromethyl)phenyl]-2-(cyclopentylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-(trifluoromethyl)phenyl]-2-(cyclopentylmethylamino)pyridine-3-carboxamide
PubChem CID145152864
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC NameN-[3-cyano-4-(trifluoromethyl)phenyl]-2-(cyclopentylmethylamino)pyridine-3-carboxamide
SMILESN#Cc1cc(NC(=O)c2cccnc2NCC2CCCC2)ccc1C(F)(F)F
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)17-8-7-15(10-14(17)11-24)27-19(28)16-6-3-9-25-18(16)26-12-13-4-1-2-5-13/h3,6-10,13H,1-2,4-5,12H2,(H,25,26)(H,27,28)
InChIKeyXIONLVAYPWSRLS-UHFFFAOYSA-N
XLogP4.83
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-cyano-4-(trifluoromethyl)phenyl]-2-[[(2R)-2-hydroxycyclopentyl]methylamino]pyridine-3-carboxamide
CID 145152890
N-(4-cyanophenyl)-2-(cyclohexylmethylamino)pyridine-3-carboxamide
CID 145152905
2-(piperidin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 122516005
2-[(5-oxopyrrolidin-2-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 122535121
N-[3-[(1-methylpiperidin-2-yl)methoxy]-4-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 87959098
N-(3,4-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62166522
2-(cyclohexylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632911
4-(cyclopropylmethylamino)-2-(trifluoromethyl)benzonitrile
CID 11481851
N-[3-cyano-4-(trifluoromethyl)phenyl]-4-(prop-2-enoylamino)benzamide
CID 166405504
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62168476
N-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 63539836
4-(cyclohexylmethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709782

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(trifluoromethyl)phenyl]-2-(cyclopentylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[3-cyano-4-(trifluoromethyl)phenyl]-2-(cyclopentylmethylamino)pyridine-3-carboxamide (CID 145152864) is N-[3-cyano-4-(trifluoromethyl)phenyl]-2-(cyclopentylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyano-4-(trifluoromethyl)phenyl]-2-(cyclopentylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyano-4-(trifluoromethyl)phenyl]-2-(cyclopentylmethylamino)pyridine-3-carboxamide is N#Cc1cc(NC(=O)c2cccnc2NCC2CCCC2)ccc1C(F)(F)F.
What is the InChIKey of N-[3-cyano-4-(trifluoromethyl)phenyl]-2-(cyclopentylmethylamino)pyridine-3-carboxamide?
The InChIKey is XIONLVAYPWSRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c21-20(22,23)17-8-7-15(10-14(17)11-24)27-19(28)16-6-3-9-25-18(16)26-12-13-4-1-2-5-13/h3,6-10,13H,1-2,4-5,12H2,(H,25,26)(H,27,28).
What are the key properties of N-[3-cyano-4-(trifluoromethyl)phenyl]-2-(cyclopentylmethylamino)pyridine-3-carboxamide?
N-[3-cyano-4-(trifluoromethyl)phenyl]-2-(cyclopentylmethylamino)pyridine-3-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(trifluoromethyl)phenyl]-2-(cyclopentylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 145152864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).