N-(3-ethoxypropyl)-6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C25H31N5O2 — CID 46950835

IUPACN-(3-ethoxypropyl)-6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCCOCCCNc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(OC)cc1)CC2
InChIInChI=1S/C25H31N5O2/c1-3-32-16-6-14-27-24-21-18-30(17-19-8-10-20(31-2)11-9-19)15-12-22(21)28-25(29-24)23-7-4-5-13-26-23/h4-5,7-11,13H,3,6,12,14-18H2,1-2H3,(H,27,28,29)
InChIKeyKANPAIFYXXOBSZ-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.94
Rot. Bonds10

About N-(3-ethoxypropyl)-6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

N-(3-ethoxypropyl)-6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 46950835) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID46950835
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-(3-ethoxypropyl)-6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCCOCCCNc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(OC)cc1)CC2
InChIInChI=1S/C25H31N5O2/c1-3-32-16-6-14-27-24-21-18-30(17-19-8-10-20(31-2)11-9-19)15-12-22(21)28-25(29-24)23-7-4-5-13-26-23/h4-5,7-11,13H,3,6,12,14-18H2,1-2H3,(H,27,28,29)
InChIKeyKANPAIFYXXOBSZ-UHFFFAOYSA-N
XLogP3.94
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3-ethoxypropyl)-6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-ethoxypropyl)-6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 46950835) is N-(3-ethoxypropyl)-6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-ethoxypropyl)-6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is CCOCCCNc1nc(-c2ccccn2)nc2c1CN(Cc1ccc(OC)cc1)CC2.
What is the InChIKey of N-(3-ethoxypropyl)-6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is KANPAIFYXXOBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-3-32-16-6-14-27-24-21-18-30(17-19-8-10-20(31-2)11-9-19)15-12-22(21)28-25(29-24)23-7-4-5-13-26-23/h4-5,7-11,13H,3,6,12,14-18H2,1-2H3,(H,27,28,29).
What are the key properties of N-(3-ethoxypropyl)-6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
N-(3-ethoxypropyl)-6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 433.56 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46950835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).