2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide

C25H25N5O2 — CID 46889205

IUPAC2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1
InChIInChI=1S/C25H25N5O2/c1-29-12-10-17(11-13-29)30(2)24(32)16-8-9-18-19(14-16)22-20(23(18)31)21(27-25(26)28-22)15-6-4-3-5-7-15/h3-9,14,17H,10-13H2,1-2H3,(H2,26,27,28)
InChIKeyHLCGQIDKBLKLOC-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.10
Rot. Bonds3

About 2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide

2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide (PubChem CID 46889205) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide
PubChem CID46889205
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide
SMILESCN1CCC(N(C)C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1
InChIInChI=1S/C25H25N5O2/c1-29-12-10-17(11-13-29)30(2)24(32)16-8-9-18-19(14-16)22-20(23(18)31)21(27-25(26)28-22)15-6-4-3-5-7-15/h3-9,14,17H,10-13H2,1-2H3,(H2,26,27,28)
InChIKeyHLCGQIDKBLKLOC-UHFFFAOYSA-N
XLogP3.10
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide (CID 46889205) is 2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide is CN1CCC(N(C)C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1.
What is the InChIKey of 2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide?
The InChIKey is HLCGQIDKBLKLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-29-12-10-17(11-13-29)30(2)24(32)16-8-9-18-19(14-16)22-20(23(18)31)21(27-25(26)28-22)15-6-4-3-5-7-15/h3-9,14,17H,10-13H2,1-2H3,(H2,26,27,28).
What are the key properties of 2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide?
2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide is sourced from PubChem (CID 46889205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).