(2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide

C10H9F3N4O2 — CID 153366038

IUPAC(2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide
SMILESN#Cc1ncc(NC(=O)[C@@H](O)CN)cc1C(F)(F)F
InChIInChI=1S/C10H9F3N4O2/c11-10(12,13)6-1-5(4-16-7(6)2-14)17-9(19)8(18)3-15/h1,4,8,18H,3,15H2,(H,17,19)/t8-/m0/s1
InChIKeySPZCDDPVXGMWCZ-QMMMGPOBSA-N
MW274.20 g/mol
LogP0.23
Rot. Bonds3

About (2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide

(2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide (PubChem CID 153366038) has the molecular formula C10H9F3N4O2 and a molecular weight of 274.20 g/mol. Its IUPAC name is (2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide
PubChem CID153366038
Molecular FormulaC10H9F3N4O2
Molecular Weight274.20 g/mol
Exact Mass274.07
IUPAC Name(2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide
SMILESN#Cc1ncc(NC(=O)[C@@H](O)CN)cc1C(F)(F)F
InChIInChI=1S/C10H9F3N4O2/c11-10(12,13)6-1-5(4-16-7(6)2-14)17-9(19)8(18)3-15/h1,4,8,18H,3,15H2,(H,17,19)/t8-/m0/s1
InChIKeySPZCDDPVXGMWCZ-QMMMGPOBSA-N
XLogP0.23
TPSA112.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide
CID 137445272
3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 137405477
N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]naphthalene-1-carboxamide
CID 151019291
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 118614924
3-chloro-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 69121812
(2S)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 130368990
N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]-4-methoxybenzamide
CID 172821541
1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea
CID 156772508
3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 146315099
(2S)-3-[3-chloro-4-(trifluoromethyl)indazol-1-yl]-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 156841942
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoroanilino)cyclobutane-1-carboxamide
CID 121422674
(2R)-3-bromo-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide;2-methylpropanamide
CID 159924354

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide?
The IUPAC name of (2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide (CID 153366038) is (2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide?
The canonical SMILES for (2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide is N#Cc1ncc(NC(=O)[C@@H](O)CN)cc1C(F)(F)F.
What is the InChIKey of (2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide?
The InChIKey is SPZCDDPVXGMWCZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H9F3N4O2/c11-10(12,13)6-1-5(4-16-7(6)2-14)17-9(19)8(18)3-15/h1,4,8,18H,3,15H2,(H,17,19)/t8-/m0/s1.
What are the key properties of (2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide?
(2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide has a molecular weight of 274.20 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide is sourced from PubChem (CID 153366038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).