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

C25H34N6O — CID 46050903

IUPAC2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESC=CCNC(=O)N1CCc2nc(N(C)Cc3ccccc3)nc(N3CCC(C)CC3)c2C1
InChIInChI=1S/C25H34N6O/c1-4-13-26-25(32)31-16-12-22-21(18-31)23(30-14-10-19(2)11-15-30)28-24(27-22)29(3)17-20-8-6-5-7-9-20/h4-9,19H,1,10-18H2,2-3H3,(H,26,32)
InChIKeyIGDJXMUCRUWYGF-UHFFFAOYSA-N
MW434.59 g/mol
LogP3.60
Rot. Bonds6

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

2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 46050903) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID46050903
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESC=CCNC(=O)N1CCc2nc(N(C)Cc3ccccc3)nc(N3CCC(C)CC3)c2C1
InChIInChI=1S/C25H34N6O/c1-4-13-26-25(32)31-16-12-22-21(18-31)23(30-14-10-19(2)11-15-30)28-24(27-22)29(3)17-20-8-6-5-7-9-20/h4-9,19H,1,10-18H2,2-3H3,(H,26,32)
InChIKeyIGDJXMUCRUWYGF-UHFFFAOYSA-N
XLogP3.60
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46050901
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
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
2-[benzyl(methyl)amino]-4-(4-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42855607
cyclobutyl-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 70773707
1-[4-(4-methylpiperidin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylmethoxyethanone
CID 42787809
N-benzyl-N-methyl-4-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine
CID 67100168
N-(2,6-dimethylphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7301444
2-methyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42788676
2-(4-cyclohexylpiperazin-1-yl)-4-(dimethylamino)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 46050930
2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42871047

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-prop-2-enyl-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-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 46050903) is 2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-prop-2-enyl-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-prop-2-enyl-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-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is C=CCNC(=O)N1CCc2nc(N(C)Cc3ccccc3)nc(N3CCC(C)CC3)c2C1.
What is the InChIKey of 2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is IGDJXMUCRUWYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O/c1-4-13-26-25(32)31-16-12-22-21(18-31)23(30-14-10-19(2)11-15-30)28-24(27-22)29(3)17-20-8-6-5-7-9-20/h4-9,19H,1,10-18H2,2-3H3,(H,26,32).
What are the key properties of 2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
2-[benzyl(methyl)amino]-4-(4-methylpiperidin-1-yl)-N-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 434.59 g/mol, XLogP of 3.60, 6 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-prop-2-enyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 46050903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).