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

C21H25Cl2N5O — CID 42788680

IUPACN-(2,6-dichlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(c(N3CCC(C)CC3)n1)CN(C(=O)Nc1c(Cl)cccc1Cl)CC2
InChIInChI=1S/C21H25Cl2N5O/c1-13-6-9-27(10-7-13)20-15-12-28(11-8-18(15)24-14(2)25-20)21(29)26-19-16(22)4-3-5-17(19)23/h3-5,13H,6-12H2,1-2H3,(H,26,29)
InChIKeyMAAOQVYBZWPKMU-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.92
Rot. Bonds2

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

N-(2,6-dichlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 42788680) has the molecular formula C21H25Cl2N5O and a molecular weight of 434.37 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID42788680
Molecular FormulaC21H25Cl2N5O
Molecular Weight434.37 g/mol
Exact Mass433.14
IUPAC NameN-(2,6-dichlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1nc2c(c(N3CCC(C)CC3)n1)CN(C(=O)Nc1c(Cl)cccc1Cl)CC2
InChIInChI=1S/C21H25Cl2N5O/c1-13-6-9-27(10-7-13)20-15-12-28(11-8-18(15)24-14(2)25-20)21(29)26-19-16(22)4-3-5-17(19)23/h3-5,13H,6-12H2,1-2H3,(H,26,29)
InChIKeyMAAOQVYBZWPKMU-UHFFFAOYSA-N
XLogP4.92
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.92
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-(4-chlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 3514674
N-(2,3-dichlorophenyl)-2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7419509
2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42788676
(3-chlorophenyl)-[2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7262567
N-(3,4-difluorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7283435
(4-chlorophenyl)-[2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7283817
N-(2,6-dichlorophenyl)-4-(dimethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7416186
N-cyclohexyl-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42788673
N-(3-chlorophenyl)-4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46160236
(4-methoxyphenyl)-[2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7237028
N-(2-bromophenyl)-2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7499343

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 42788680) is N-(2,6-dichlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1nc2c(c(N3CCC(C)CC3)n1)CN(C(=O)Nc1c(Cl)cccc1Cl)CC2.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is MAAOQVYBZWPKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N5O/c1-13-6-9-27(10-7-13)20-15-12-28(11-8-18(15)24-14(2)25-20)21(29)26-19-16(22)4-3-5-17(19)23/h3-5,13H,6-12H2,1-2H3,(H,26,29).
What are the key properties of N-(2,6-dichlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(2,6-dichlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 434.37 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42788680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).