3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide

C13H17ClF3N3O — CID 102716159

IUPAC3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H17ClF3N3O/c1-8(2)7-19-12(21)3-4-18-11-6-9(13(15,16)17)5-10(14)20-11/h5-6,8H,3-4,7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVZEQQPANTRLDSA-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.33
Rot. Bonds6

About 3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide

3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide (PubChem CID 102716159) has the molecular formula C13H17ClF3N3O and a molecular weight of 323.75 g/mol. Its IUPAC name is 3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide
PubChem CID102716159
Molecular FormulaC13H17ClF3N3O
Molecular Weight323.75 g/mol
Exact Mass323.10
IUPAC Name3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCNc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H17ClF3N3O/c1-8(2)7-19-12(21)3-4-18-11-6-9(13(15,16)17)5-10(14)20-11/h5-6,8H,3-4,7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVZEQQPANTRLDSA-UHFFFAOYSA-N
XLogP3.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715447
tert-butyl N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamate
CID 102716232
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 102716156
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-2-ol
CID 107154974
6-chloro-N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716198
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 71628764
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide
CID 109012712
N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropanecarboxamide
CID 102716189
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-ethylpropanamide
CID 102715642
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 137015567
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 102716204
3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 113411201

Frequently Asked Questions

What is the IUPAC name of 3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide (CID 102716159) is 3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCNc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide?
The InChIKey is VZEQQPANTRLDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3O/c1-8(2)7-19-12(21)3-4-18-11-6-9(13(15,16)17)5-10(14)20-11/h5-6,8H,3-4,7H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide?
3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide has a molecular weight of 323.75 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 102716159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).