4-[[2-(ethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide

C19H18F4N6O — CID 123723897

IUPAC4-[[2-(ethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide
SMILESCCNCC(Nc1ncnc2c(C(N)=O)ccnc12)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H18F4N6O/c1-2-25-8-14(10-5-11(19(21,22)23)7-12(20)6-10)29-18-16-15(27-9-28-18)13(17(24)30)3-4-26-16/h3-7,9,14,25H,2,8H2,1H3,(H2,24,30)(H,27,28,29)
InChIKeyCJGRHBWUMPISNN-UHFFFAOYSA-N
MW422.39 g/mol
LogP3.04
Rot. Bonds7

About 4-[[2-(ethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide

4-[[2-(ethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide (PubChem CID 123723897) has the molecular formula C19H18F4N6O and a molecular weight of 422.39 g/mol. Its IUPAC name is 4-[[2-(ethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name4-[[2-(ethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide
PubChem CID123723897
Molecular FormulaC19H18F4N6O
Molecular Weight422.39 g/mol
Exact Mass422.15
IUPAC Name4-[[2-(ethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide
SMILESCCNCC(Nc1ncnc2c(C(N)=O)ccnc12)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H18F4N6O/c1-2-25-8-14(10-5-11(19(21,22)23)7-12(20)6-10)29-18-16-15(27-9-28-18)13(17(24)30)3-4-26-16/h3-7,9,14,25H,2,8H2,1H3,(H2,24,30)(H,27,28,29)
InChIKeyCJGRHBWUMPISNN-UHFFFAOYSA-N
XLogP3.04
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(ethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide with MolForge

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Related Compounds

4-[[(1S)-2-(ethylamino)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxylic acid
CID 142799784
4-[[2-(methylamino)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide
CID 123368165
4-[[(1R)-1-[4-methyl-3-(trifluoromethyl)phenyl]butyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide
CID 148641524
4-[[2-(methylamino)-1-(2,4,5-trifluorophenyl)ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide
CID 123244142
4-[[(1R)-1-(4-chloro-3-fluorophenyl)-4-methylpentyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide
CID 161327340
4-[[(1S)-2-(ethylamino)-1-(3-fluorophenyl)ethyl]amino]quinazoline-8-carboxylic acid
CID 140576302
4-[[(1S)-2-(azetidin-1-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxylic acid
CID 142799797
3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide
CID 115351332
3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(methylamino)propanamide
CID 115351328
4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid
CID 140576306
4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 46869452
4-[[1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 46869381

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide?
The IUPAC name of 4-[[2-(ethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide (CID 123723897) is 4-[[2-(ethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide.
What is the SMILES notation for 4-[[2-(ethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide?
The canonical SMILES for 4-[[2-(ethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide is CCNCC(Nc1ncnc2c(C(N)=O)ccnc12)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[[2-(ethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide?
The InChIKey is CJGRHBWUMPISNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N6O/c1-2-25-8-14(10-5-11(19(21,22)23)7-12(20)6-10)29-18-16-15(27-9-28-18)13(17(24)30)3-4-26-16/h3-7,9,14,25H,2,8H2,1H3,(H2,24,30)(H,27,28,29).
What are the key properties of 4-[[2-(ethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide?
4-[[2-(ethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide has a molecular weight of 422.39 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide is sourced from PubChem (CID 123723897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).