2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide

C12H17F3N4O — CID 102719169

IUPAC2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Nc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C12H17F3N4O/c1-6(2)17-11(20)7(3)18-10-5-8(12(13,14)15)4-9(16)19-10/h4-7H,1-3H3,(H,17,20)(H3,16,18,19)
InChIKeyBAKJUCJRMQWHLC-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.01
Rot. Bonds4

About 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide

2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide (PubChem CID 102719169) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide
PubChem CID102719169
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Nc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C12H17F3N4O/c1-6(2)17-11(20)7(3)18-10-5-8(12(13,14)15)4-9(16)19-10/h4-7H,1-3H3,(H,17,20)(H3,16,18,19)
InChIKeyBAKJUCJRMQWHLC-UHFFFAOYSA-N
XLogP2.01
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717244
4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 102718936
6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717909
methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 97136425
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-ethylpropanamide
CID 102715642
6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718721
6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717913
methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 102717921
6-N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717521
6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719346
2-[(4-amino-5-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113406565
2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 114767933

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide (CID 102719169) is 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Nc1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is BAKJUCJRMQWHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-6(2)17-11(20)7(3)18-10-5-8(12(13,14)15)4-9(16)19-10/h4-7H,1-3H3,(H,17,20)(H3,16,18,19).
What are the key properties of 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide?
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 290.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 102719169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).