4-[[2-(methylamino)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide

C19H19F3N6O — CID 123368165

IUPAC4-[[2-(methylamino)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide
SMILESCNCC(Nc1ncnc2c(C(N)=O)ccnc12)c1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N6O/c1-10-3-4-11(7-13(10)19(20,21)22)14(8-24-2)28-18-16-15(26-9-27-18)12(17(23)29)5-6-25-16/h3-7,9,14,24H,8H2,1-2H3,(H2,23,29)(H,26,27,28)
InChIKeyHLXDSFPBHGVEHW-UHFFFAOYSA-N
MW404.40 g/mol
LogP2.82
Rot. Bonds6

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

4-[[2-(methylamino)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide (PubChem CID 123368165) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is 4-[[2-(methylamino)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name4-[[2-(methylamino)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide
PubChem CID123368165
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC Name4-[[2-(methylamino)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide
SMILESCNCC(Nc1ncnc2c(C(N)=O)ccnc12)c1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N6O/c1-10-3-4-11(7-13(10)19(20,21)22)14(8-24-2)28-18-16-15(26-9-27-18)12(17(23)29)5-6-25-16/h3-7,9,14,24H,8H2,1-2H3,(H2,23,29)(H,26,27,28)
InChIKeyHLXDSFPBHGVEHW-UHFFFAOYSA-N
XLogP2.82
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

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-[[2-(ethylamino)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide
CID 123723897
4-[[(1S)-2-(ethylamino)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxylic acid
CID 142799784
4-[[(1R)-1-(4-chloro-3-fluorophenyl)-4-methylpentyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide
CID 161327340
4-[[(1S)-2-(azetidin-1-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxylic acid
CID 142799797
4-[[(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]butyl]amino]pyrido[3,4-d]pyrimidine-8-carboxamide
CID 159617094
4-[[1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 46869381
2-methyl-4-[[2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 123566147
4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide
CID 77408085
4-[[2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 66763498
4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 46869252

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylamino)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide?
The IUPAC name of 4-[[2-(methylamino)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide (CID 123368165) is 4-[[2-(methylamino)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide.
What is the SMILES notation for 4-[[2-(methylamino)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide?
The canonical SMILES for 4-[[2-(methylamino)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide is CNCC(Nc1ncnc2c(C(N)=O)ccnc12)c1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of 4-[[2-(methylamino)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide?
The InChIKey is HLXDSFPBHGVEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c1-10-3-4-11(7-13(10)19(20,21)22)14(8-24-2)28-18-16-15(26-9-27-18)12(17(23)29)5-6-25-16/h3-7,9,14,24H,8H2,1-2H3,(H2,23,29)(H,26,27,28).
What are the key properties of 4-[[2-(methylamino)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide?
4-[[2-(methylamino)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide has a molecular weight of 404.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylamino)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[3,2-d]pyrimidine-8-carboxamide is sourced from PubChem (CID 123368165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).