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

C23H31N5O — CID 7301444

IUPACN-(2,6-dimethylphenyl)-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(C)cccc1C)CC2
InChIInChI=1S/C23H31N5O/c1-15-8-11-27(12-9-15)22-19-14-28(13-10-20(19)24-18(4)25-22)23(29)26-21-16(2)6-5-7-17(21)3/h5-7,15H,8-14H2,1-4H3,(H,26,29)
InChIKeyROZHFRFSHYZCPZ-UHFFFAOYSA-N
MW393.54 g/mol
LogP4.23
Rot. Bonds2

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

N-(2,6-dimethylphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 7301444) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID7301444
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC NameN-(2,6-dimethylphenyl)-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(C)cccc1C)CC2
InChIInChI=1S/C23H31N5O/c1-15-8-11-27(12-9-15)22-19-14-28(13-10-20(19)24-18(4)25-22)23(29)26-21-16(2)6-5-7-17(21)3/h5-7,15H,8-14H2,1-4H3,(H,26,29)
InChIKeyROZHFRFSHYZCPZ-UHFFFAOYSA-N
XLogP4.23
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42788676
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-cyclohexyl-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42788673
(3-chlorophenyl)-[2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 7262567
(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
N-(2,3-dichlorophenyl)-2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7419509
N-(2-bromophenyl)-2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7499343
4-(2,6-dimethylmorpholin-4-yl)-2-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42786422
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7499166

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-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-dimethylphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 7301444) is N-(2,6-dimethylphenyl)-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-dimethylphenyl)-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-dimethylphenyl)-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(C)cccc1C)CC2.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is ROZHFRFSHYZCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-15-8-11-27(12-9-15)22-19-14-28(13-10-20(19)24-18(4)25-22)23(29)26-21-16(2)6-5-7-17(21)3/h5-7,15H,8-14H2,1-4H3,(H,26,29).
What are the key properties of N-(2,6-dimethylphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(2,6-dimethylphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 393.54 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 7301444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).