1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-ethylpyrrolidine-3-carboxamide

C18H28N6O2 — CID 56864132

IUPAC1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(c2nc(N(C)C)nc3c2CCN(C(C)=O)C3)C1
InChIInChI=1S/C18H28N6O2/c1-5-19-17(26)13-6-8-24(10-13)16-14-7-9-23(12(2)25)11-15(14)20-18(21-16)22(3)4/h13H,5-11H2,1-4H3,(H,19,26)
InChIKeyKMMXJJBJVZTSDV-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.41
Rot. Bonds4

About 1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-ethylpyrrolidine-3-carboxamide

1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-ethylpyrrolidine-3-carboxamide (PubChem CID 56864132) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-ethylpyrrolidine-3-carboxamide
PubChem CID56864132
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(c2nc(N(C)C)nc3c2CCN(C(C)=O)C3)C1
InChIInChI=1S/C18H28N6O2/c1-5-19-17(26)13-6-8-24(10-13)16-14-7-9-23(12(2)25)11-15(14)20-18(21-16)22(3)4/h13H,5-11H2,1-4H3,(H,19,26)
InChIKeyKMMXJJBJVZTSDV-UHFFFAOYSA-N
XLogP0.41
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-ethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-ethylpyrrolidine-3-carboxamide (CID 56864132) is 1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-ethylpyrrolidine-3-carboxamide is CCNC(=O)C1CCN(c2nc(N(C)C)nc3c2CCN(C(C)=O)C3)C1.
What is the InChIKey of 1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-ethylpyrrolidine-3-carboxamide?
The InChIKey is KMMXJJBJVZTSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-5-19-17(26)13-6-8-24(10-13)16-14-7-9-23(12(2)25)11-15(14)20-18(21-16)22(3)4/h13H,5-11H2,1-4H3,(H,19,26).
What are the key properties of 1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-ethylpyrrolidine-3-carboxamide?
1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-ethylpyrrolidine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-acetyl-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-N-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 56864132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).