1-Ethyl-2-imino-N-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide

C15H15N5O2 — CID 701425

IUPAC7-ethyl-6-imino-N-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
SMILESCCN1C2=C(C=C(C1=N)C(=O)NC)C(=O)N3C=CC=CC3=N2
InChIInChI=1S/C15H15N5O2/c1-3-19-12(16)9(14(21)17-2)8-10-13(19)18-11-6-4-5-7-20(11)15(10)22/h4-8,16H,3H2,1-2H3,(H,17,21)
InChIKeyWECRCKBJGKOHFT-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.10
Rot. Bonds2

About 1-Ethyl-2-imino-N-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide

1-Ethyl-2-imino-N-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide (PubChem CID 701425) has the molecular formula C15H15N5O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 7-ethyl-6-imino-N-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.

Molecular Properties

Compound Name1-Ethyl-2-imino-N-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide
PubChem CID701425
Molecular FormulaC15H15N5O2
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name7-ethyl-6-imino-N-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
SMILESCCN1C2=C(C=C(C1=N)C(=O)NC)C(=O)N3C=CC=CC3=N2
InChIInChI=1S/C15H15N5O2/c1-3-19-12(16)9(14(21)17-2)8-10-13(19)18-11-6-4-5-7-20(11)15(10)22/h4-8,16H,3H2,1-2H3,(H,17,21)
InChIKeyWECRCKBJGKOHFT-UHFFFAOYSA-N
XLogP-0.10
TPSA88.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity739

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-Ethyl-2-imino-N-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide?
The IUPAC name of 1-Ethyl-2-imino-N-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide (CID 701425) is 7-ethyl-6-imino-N-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
What is the SMILES notation for 1-Ethyl-2-imino-N-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide?
The canonical SMILES for 1-Ethyl-2-imino-N-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide is CCN1C2=C(C=C(C1=N)C(=O)NC)C(=O)N3C=CC=CC3=N2.
What is the InChIKey of 1-Ethyl-2-imino-N-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide?
The InChIKey is WECRCKBJGKOHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-3-19-12(16)9(14(21)17-2)8-10-13(19)18-11-6-4-5-7-20(11)15(10)22/h4-8,16H,3H2,1-2H3,(H,17,21).
What are the key properties of 1-Ethyl-2-imino-N-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide?
1-Ethyl-2-imino-N-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide has a molecular weight of 297.31 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Ethyl-2-imino-N-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide is sourced from PubChem (CID 701425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).