2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C22H26F3N5O — CID 42788676

IUPAC2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(c(N3CCC(C)CC3)n1)CN(C(=O)Nc1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C22H26F3N5O/c1-14-7-10-29(11-8-14)20-16-13-30(12-9-18(16)26-15(2)27-20)21(31)28-19-6-4-3-5-17(19)22(23,24)25/h3-6,14H,7-13H2,1-2H3,(H,28,31)
InChIKeyAMTUKYVCMLFGOQ-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.63
Rot. Bonds2

About 2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 42788676) has the molecular formula C22H26F3N5O and a molecular weight of 433.48 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID42788676
Molecular FormulaC22H26F3N5O
Molecular Weight433.48 g/mol
Exact Mass433.21
IUPAC Name2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(c(N3CCC(C)CC3)n1)CN(C(=O)Nc1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C22H26F3N5O/c1-14-7-10-29(11-8-14)20-16-13-30(12-9-18(16)26-15(2)27-20)21(31)28-19-6-4-3-5-17(19)22(23,24)25/h3-6,14H,7-13H2,1-2H3,(H,28,31)
InChIKeyAMTUKYVCMLFGOQ-UHFFFAOYSA-N
XLogP4.63
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7301444
N-(2,6-dichlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42788680
N-(4-chlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 3514674
N-(3,4-difluorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7283435
N-(2-bromophenyl)-2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7499343
N-cyclohexyl-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42788673
N-(2-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42786431
N-(2,3-dichlorophenyl)-2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7419509
4-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42786443
(4-chlorophenyl)-[2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7283817
(4-methoxyphenyl)-[2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7237028
(3-chlorophenyl)-[2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7262567

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 42788676) is 2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1nc2c(c(N3CCC(C)CC3)n1)CN(C(=O)Nc1ccccc1C(F)(F)F)CC2.
What is the InChIKey of 2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is AMTUKYVCMLFGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O/c1-14-7-10-29(11-8-14)20-16-13-30(12-9-18(16)26-15(2)27-20)21(31)28-19-6-4-3-5-17(19)22(23,24)25/h3-6,14H,7-13H2,1-2H3,(H,28,31).
What are the key properties of 2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42788676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).