3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(dimethylamino)propyl]propanamide

C14H19ClF3N3O — CID 2765369

IUPAC3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H19ClF3N3O/c1-21(2)7-3-6-19-13(22)5-4-12-11(15)8-10(9-20-12)14(16,17)18/h8-9H,3-7H2,1-2H3,(H,19,22)
InChIKeyLEZLQQSFTPGLDV-UHFFFAOYSA-N
MW337.77 g/mol
LogP2.75
Rot. Bonds7

About 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(dimethylamino)propyl]propanamide

3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 2765369) has the molecular formula C14H19ClF3N3O and a molecular weight of 337.77 g/mol. Its IUPAC name is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(dimethylamino)propyl]propanamide
PubChem CID2765369
Molecular FormulaC14H19ClF3N3O
Molecular Weight337.77 g/mol
Exact Mass337.12
IUPAC Name3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H19ClF3N3O/c1-21(2)7-3-6-19-13(22)5-4-12-11(15)8-10(9-20-12)14(16,17)18/h8-9H,3-7H2,1-2H3,(H,19,22)
InChIKeyLEZLQQSFTPGLDV-UHFFFAOYSA-N
XLogP2.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(dimethylamino)propyl]propanamide (CID 2765369) is 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(dimethylamino)propyl]propanamide is CN(C)CCCNC(=O)CCc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is LEZLQQSFTPGLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N3O/c1-21(2)7-3-6-19-13(22)5-4-12-11(15)8-10(9-20-12)14(16,17)18/h8-9H,3-7H2,1-2H3,(H,19,22).
What are the key properties of 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(dimethylamino)propyl]propanamide?
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 337.77 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 2765369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).