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

C28H34N6O — CID 46050901

IUPAC2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCC1CCN(c2nc(N(C)Cc3ccccc3)nc3c2CN(C(=O)Nc2ccccc2)CC3)CC1
InChIInChI=1S/C28H34N6O/c1-21-13-16-33(17-14-21)26-24-20-34(28(35)29-23-11-7-4-8-12-23)18-15-25(24)30-27(31-26)32(2)19-22-9-5-3-6-10-22/h3-12,21H,13-20H2,1-2H3,(H,29,35)
InChIKeyMHOFBRZMNKZIQQ-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.94
Rot. Bonds5

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

2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 46050901) has the molecular formula C28H34N6O and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID46050901
Molecular FormulaC28H34N6O
Molecular Weight470.62 g/mol
Exact Mass470.28
IUPAC Name2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCC1CCN(c2nc(N(C)Cc3ccccc3)nc3c2CN(C(=O)Nc2ccccc2)CC3)CC1
InChIInChI=1S/C28H34N6O/c1-21-13-16-33(17-14-21)26-24-20-34(28(35)29-23-11-7-4-8-12-23)18-15-25(24)30-27(31-26)32(2)19-22-9-5-3-6-10-22/h3-12,21H,13-20H2,1-2H3,(H,29,35)
InChIKeyMHOFBRZMNKZIQQ-UHFFFAOYSA-N
XLogP4.94
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46050903
1-[2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one
CID 42855530
[2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-chlorophenyl)methanone
CID 46050600
2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42855607
2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42871047
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-methoxyphenyl)-4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42787876
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
N-(2,6-dimethylphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7301444
1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone
CID 46072549
N-(3,4-difluorophenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7283435
2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-(4-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42871044

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 46050901) is 2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CC1CCN(c2nc(N(C)Cc3ccccc3)nc3c2CN(C(=O)Nc2ccccc2)CC3)CC1.
What is the InChIKey of 2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is MHOFBRZMNKZIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O/c1-21-13-16-33(17-14-21)26-24-20-34(28(35)29-23-11-7-4-8-12-23)18-15-25(24)30-27(31-26)32(2)19-22-9-5-3-6-10-22/h3-12,21H,13-20H2,1-2H3,(H,29,35).
What are the key properties of 2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 470.62 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46050901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).