2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylacetamide

C16H18N4O2 — CID 53028036

IUPAC2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cnc2c([nH]c3ccc(C)cc32)c1=O
InChIInChI=1S/C16H18N4O2/c1-3-6-17-13(21)8-20-9-18-14-11-7-10(2)4-5-12(11)19-15(14)16(20)22/h4-5,7,9,19H,3,6,8H2,1-2H3,(H,17,21)
InChIKeyBMUUHBYDIQHOLD-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.71
Rot. Bonds4

About 2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylacetamide

2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylacetamide (PubChem CID 53028036) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylacetamide
PubChem CID53028036
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cnc2c([nH]c3ccc(C)cc32)c1=O
InChIInChI=1S/C16H18N4O2/c1-3-6-17-13(21)8-20-9-18-14-11-7-10(2)4-5-12(11)19-15(14)16(20)22/h4-5,7,9,19H,3,6,8H2,1-2H3,(H,17,21)
InChIKeyBMUUHBYDIQHOLD-UHFFFAOYSA-N
XLogP1.71
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-bromo-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 18525583
3-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylpropanamide
CID 18525589
2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-methylpropyl)acetamide
CID 53028087
N-(cyclopropylmethyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide
CID 53028283
2-(8-fluoro-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)acetamide
CID 53028070
N-cyclohexyl-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide
CID 53028180
N-[(5-methylfuran-2-yl)methyl]-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide
CID 30848867
3-benzyl-8-methyl-5H-pyrimido[5,4-b]indol-4-one
CID 915720
N-(4-ethoxyphenyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide
CID 53028186
8-methyl-3-(2-phenylethyl)-5H-pyrimido[5,4-b]indol-4-one
CID 915110
3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-[2-[3-(trifluoromethyl)anilino]ethyl]propanamide
CID 170722062
N-[3-(N-ethylanilino)propyl]-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide
CID 18525555

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylacetamide?
The IUPAC name of 2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylacetamide (CID 53028036) is 2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylacetamide.
What is the SMILES notation for 2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylacetamide?
The canonical SMILES for 2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylacetamide is CCCNC(=O)Cn1cnc2c([nH]c3ccc(C)cc32)c1=O.
What is the InChIKey of 2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylacetamide?
The InChIKey is BMUUHBYDIQHOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-3-6-17-13(21)8-20-9-18-14-11-7-10(2)4-5-12(11)19-15(14)16(20)22/h4-5,7,9,19H,3,6,8H2,1-2H3,(H,17,21).
What are the key properties of 2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylacetamide?
2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylacetamide has a molecular weight of 298.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propylacetamide is sourced from PubChem (CID 53028036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).