(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide

C9H9ClF3N3O — CID 93037299

IUPAC(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
SMILESC[C@H](Nc1ncc(C(F)(F)F)cc1Cl)C(N)=O
InChIInChI=1S/C9H9ClF3N3O/c1-4(7(14)17)16-8-6(10)2-5(3-15-8)9(11,12)13/h2-4H,1H3,(H2,14,17)(H,15,16)/t4-/m0/s1
InChIKeyPDVRLWJVPDTGDH-BYPYZUCNSA-N
MW267.64 g/mol
LogP2.04
Rot. Bonds3

About (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide

(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide (PubChem CID 93037299) has the molecular formula C9H9ClF3N3O and a molecular weight of 267.64 g/mol. Its IUPAC name is (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
PubChem CID93037299
Molecular FormulaC9H9ClF3N3O
Molecular Weight267.64 g/mol
Exact Mass267.04
IUPAC Name(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
SMILESC[C@H](Nc1ncc(C(F)(F)F)cc1Cl)C(N)=O
InChIInChI=1S/C9H9ClF3N3O/c1-4(7(14)17)16-8-6(10)2-5(3-15-8)9(11,12)13/h2-4H,1H3,(H2,14,17)(H,15,16)/t4-/m0/s1
InChIKeyPDVRLWJVPDTGDH-BYPYZUCNSA-N
XLogP2.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
The IUPAC name of (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide (CID 93037299) is (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide.
What is the SMILES notation for (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
The canonical SMILES for (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide is C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)C(N)=O.
What is the InChIKey of (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
The InChIKey is PDVRLWJVPDTGDH-BYPYZUCNSA-N. The full InChI is InChI=1S/C9H9ClF3N3O/c1-4(7(14)17)16-8-6(10)2-5(3-15-8)9(11,12)13/h2-4H,1H3,(H2,14,17)(H,15,16)/t4-/m0/s1.
What are the key properties of (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide?
(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide has a molecular weight of 267.64 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide is sourced from PubChem (CID 93037299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).