1-[3-[[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one

C20H25N5O2 — CID 56865198

IUPAC1-[3-[[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCCNc1ncnc2c1CCN(C(=O)C1CC1)C2
InChIInChI=1S/C20H25N5O2/c1-14-4-2-5-18(26)25(14)10-3-9-21-19-16-8-11-24(20(27)15-6-7-15)12-17(16)22-13-23-19/h2,4-5,13,15H,3,6-12H2,1H3,(H,21,22,23)
InChIKeyNXFLMKWZINQKEK-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.74
Rot. Bonds6

About 1-[3-[[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one

1-[3-[[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one (PubChem CID 56865198) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[3-[[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[3-[[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one
PubChem CID56865198
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name1-[3-[[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCCNc1ncnc2c1CCN(C(=O)C1CC1)C2
InChIInChI=1S/C20H25N5O2/c1-14-4-2-5-18(26)25(14)10-3-9-21-19-16-8-11-24(20(27)15-6-7-15)12-17(16)22-13-23-19/h2,4-5,13,15H,3,6-12H2,1H3,(H,21,22,23)
InChIKeyNXFLMKWZINQKEK-UHFFFAOYSA-N
XLogP1.74
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[3-[[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one 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 1-[3-[[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[3-[[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one (CID 56865198) is 1-[3-[[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[3-[[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[3-[[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1CCCNc1ncnc2c1CCN(C(=O)C1CC1)C2.
What is the InChIKey of 1-[3-[[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one?
The InChIKey is NXFLMKWZINQKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14-4-2-5-18(26)25(14)10-3-9-21-19-16-8-11-24(20(27)15-6-7-15)12-17(16)22-13-23-19/h2,4-5,13,15H,3,6-12H2,1H3,(H,21,22,23).
What are the key properties of 1-[3-[[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one?
1-[3-[[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one has a molecular weight of 367.45 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[7-(cyclopropanecarbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propyl]-6-methylpyridin-2-one is sourced from PubChem (CID 56865198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).