methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate

C12H16F3N3O2 — CID 102717921

IUPACmethyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
SMILESCCNc1cc(C(F)(F)F)cc(NC(C)C(=O)OC)n1
InChIInChI=1S/C12H16F3N3O2/c1-4-16-9-5-8(12(13,14)15)6-10(18-9)17-7(2)11(19)20-3/h5-7H,4H2,1-3H3,(H2,16,17,18)
InChIKeyQCEFQDNPNHLPBH-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.51
Rot. Bonds5

About methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate

methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate (PubChem CID 102717921) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
PubChem CID102717921
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Namemethyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
SMILESCCNc1cc(C(F)(F)F)cc(NC(C)C(=O)OC)n1
InChIInChI=1S/C12H16F3N3O2/c1-4-16-9-5-8(12(13,14)15)6-10(18-9)17-7(2)11(19)20-3/h5-7H,4H2,1-3H3,(H2,16,17,18)
InChIKeyQCEFQDNPNHLPBH-UHFFFAOYSA-N
XLogP2.51
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 97136425
methyl 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80961777
methyl 2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
CID 80801920
3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutan-1-ol
CID 102719296
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-ethylpropanamide
CID 102715642
methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80961991
2-N-ethyl-6-N-(2-methylsulfinylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719293
2-N-ethyl-6-N-(2-methylsulfanylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719235
N-ethyl-6-(1-methoxypropan-2-yloxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719983
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307
2-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea
CID 102719108
6-N-(3-methylpentan-2-yl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717856

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
The IUPAC name of methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate (CID 102717921) is methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
The canonical SMILES for methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate is CCNc1cc(C(F)(F)F)cc(NC(C)C(=O)OC)n1.
What is the InChIKey of methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
The InChIKey is QCEFQDNPNHLPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-4-16-9-5-8(12(13,14)15)6-10(18-9)17-7(2)11(19)20-3/h5-7H,4H2,1-3H3,(H2,16,17,18).
What are the key properties of methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate?
methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate has a molecular weight of 291.27 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate is sourced from PubChem (CID 102717921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).