4-[ethyl(methyl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C19H22F3N5O — CID 7288527

IUPAC4-[ethyl(methyl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCN(C)c1nc(C)nc2c1CN(C(=O)Nc1cccc(C(F)(F)F)c1)CC2
InChIInChI=1S/C19H22F3N5O/c1-4-26(3)17-15-11-27(9-8-16(15)23-12(2)24-17)18(28)25-14-7-5-6-13(10-14)19(20,21)22/h5-7,10H,4,8-9,11H2,1-3H3,(H,25,28)
InChIKeyADYVBZXTOXUXII-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.85
Rot. Bonds3

About 4-[ethyl(methyl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

4-[ethyl(methyl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 7288527) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID7288527
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC Name4-[ethyl(methyl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCCN(C)c1nc(C)nc2c1CN(C(=O)Nc1cccc(C(F)(F)F)c1)CC2
InChIInChI=1S/C19H22F3N5O/c1-4-26(3)17-15-11-27(9-8-16(15)23-12(2)24-17)18(28)25-14-7-5-6-13(10-14)19(20,21)22/h5-7,10H,4,8-9,11H2,1-3H3,(H,25,28)
InChIKeyADYVBZXTOXUXII-UHFFFAOYSA-N
XLogP3.85
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(methyl)amino]-N-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7415075
N-[2,6-di(propan-2-yl)phenyl]-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7373755
N-(2,4-dimethylphenyl)-4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7301452
4-[ethyl(methyl)amino]-N-(3-methoxyphenyl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7327023
1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2,2-diphenylethanone
CID 7271303
(3,4-dichlorophenyl)-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7412301
(2S)-1-[4-[ethyl(methyl)amino]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 7413029
N-(2,6-dichlorophenyl)-4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7416186
3-[(4-fluorophenoxy)methyl]-1-methyl-N-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018434
[4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 42666244
N-(2,3-dimethylphenyl)-4-[ethyl(methyl)amino]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7218489
4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide
CID 7165092

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[ethyl(methyl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 7288527) is 4-[ethyl(methyl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[ethyl(methyl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[ethyl(methyl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CCN(C)c1nc(C)nc2c1CN(C(=O)Nc1cccc(C(F)(F)F)c1)CC2.
What is the InChIKey of 4-[ethyl(methyl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is ADYVBZXTOXUXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c1-4-26(3)17-15-11-27(9-8-16(15)23-12(2)24-17)18(28)25-14-7-5-6-13(10-14)19(20,21)22/h5-7,10H,4,8-9,11H2,1-3H3,(H,25,28).
What are the key properties of 4-[ethyl(methyl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
4-[ethyl(methyl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-2-methyl-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 7288527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).