N-[3-cyano-4-(trifluoromethyl)phenyl]-2-[[(2R)-2-hydroxycyclopentyl]methylamino]pyridine-3-carboxamide

C20H19F3N4O2 — CID 145152890

IUPACN-[3-cyano-4-(trifluoromethyl)phenyl]-2-[[(2R)-2-hydroxycyclopentyl]methylamino]pyridine-3-carboxamide
SMILESN#Cc1cc(NC(=O)c2cccnc2NCC2CCC[C@H]2O)ccc1C(F)(F)F
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)16-7-6-14(9-13(16)10-24)27-19(29)15-4-2-8-25-18(15)26-11-12-3-1-5-17(12)28/h2,4,6-9,12,17,28H,1,3,5,11H2,(H,25,26)(H,27,29)/t12?,17-/m1/s1
InChIKeyISSBUVBQJPATLJ-RGUGMKFQSA-N
MW404.39 g/mol
LogP3.80
Rot. Bonds5

About N-[3-cyano-4-(trifluoromethyl)phenyl]-2-[[(2R)-2-hydroxycyclopentyl]methylamino]pyridine-3-carboxamide

N-[3-cyano-4-(trifluoromethyl)phenyl]-2-[[(2R)-2-hydroxycyclopentyl]methylamino]pyridine-3-carboxamide (PubChem CID 145152890) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-[3-cyano-4-(trifluoromethyl)phenyl]-2-[[(2R)-2-hydroxycyclopentyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-(trifluoromethyl)phenyl]-2-[[(2R)-2-hydroxycyclopentyl]methylamino]pyridine-3-carboxamide
PubChem CID145152890
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC NameN-[3-cyano-4-(trifluoromethyl)phenyl]-2-[[(2R)-2-hydroxycyclopentyl]methylamino]pyridine-3-carboxamide
SMILESN#Cc1cc(NC(=O)c2cccnc2NCC2CCC[C@H]2O)ccc1C(F)(F)F
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)16-7-6-14(9-13(16)10-24)27-19(29)15-4-2-8-25-18(15)26-11-12-3-1-5-17(12)28/h2,4,6-9,12,17,28H,1,3,5,11H2,(H,25,26)(H,27,29)/t12?,17-/m1/s1
InChIKeyISSBUVBQJPATLJ-RGUGMKFQSA-N
XLogP3.80
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-cyano-4-(trifluoromethyl)phenyl]-2-(cyclopentylmethylamino)pyridine-3-carboxamide
CID 145152864
2-[(2-hydroxycyclopentyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133324096
N-(4-cyanophenyl)-2-(cyclohexylmethylamino)pyridine-3-carboxamide
CID 145152905
3-[[(1S,2S)-2-hydroxycyclopentyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 122535135
3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
CID 82813785
3-[[(2R)-2-hydroxycyclohexyl]methylamino]-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 162597047
2-[(5-oxopyrrolidin-2-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 122535121
2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide
CID 60704758
2-(piperidin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 122516005
N-[(2-hydroxycyclopentyl)methyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111540624
N-(3,4-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62166522
N-[3-cyano-4-(trifluoromethyl)phenyl]-4-(prop-2-enoylamino)benzamide
CID 166405504

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(trifluoromethyl)phenyl]-2-[[(2R)-2-hydroxycyclopentyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyano-4-(trifluoromethyl)phenyl]-2-[[(2R)-2-hydroxycyclopentyl]methylamino]pyridine-3-carboxamide (CID 145152890) is N-[3-cyano-4-(trifluoromethyl)phenyl]-2-[[(2R)-2-hydroxycyclopentyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyano-4-(trifluoromethyl)phenyl]-2-[[(2R)-2-hydroxycyclopentyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyano-4-(trifluoromethyl)phenyl]-2-[[(2R)-2-hydroxycyclopentyl]methylamino]pyridine-3-carboxamide is N#Cc1cc(NC(=O)c2cccnc2NCC2CCC[C@H]2O)ccc1C(F)(F)F.
What is the InChIKey of N-[3-cyano-4-(trifluoromethyl)phenyl]-2-[[(2R)-2-hydroxycyclopentyl]methylamino]pyridine-3-carboxamide?
The InChIKey is ISSBUVBQJPATLJ-RGUGMKFQSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)16-7-6-14(9-13(16)10-24)27-19(29)15-4-2-8-25-18(15)26-11-12-3-1-5-17(12)28/h2,4,6-9,12,17,28H,1,3,5,11H2,(H,25,26)(H,27,29)/t12?,17-/m1/s1.
What are the key properties of N-[3-cyano-4-(trifluoromethyl)phenyl]-2-[[(2R)-2-hydroxycyclopentyl]methylamino]pyridine-3-carboxamide?
N-[3-cyano-4-(trifluoromethyl)phenyl]-2-[[(2R)-2-hydroxycyclopentyl]methylamino]pyridine-3-carboxamide has a molecular weight of 404.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(trifluoromethyl)phenyl]-2-[[(2R)-2-hydroxycyclopentyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 145152890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).