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

C18H20N4O2 — CID 53028283

IUPACN-(cyclopropylmethyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide
SMILESCc1ccc2[nH]c3c(=O)n(CCC(=O)NCC4CC4)cnc3c2c1
InChIInChI=1S/C18H20N4O2/c1-11-2-5-14-13(8-11)16-17(21-14)18(24)22(10-20-16)7-6-15(23)19-9-12-3-4-12/h2,5,8,10,12,21H,3-4,6-7,9H2,1H3,(H,19,23)
InChIKeyJRSIZVRGJPUEHR-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.10
Rot. Bonds5

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

N-(cyclopropylmethyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide (PubChem CID 53028283) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide
PubChem CID53028283
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(cyclopropylmethyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide
SMILESCc1ccc2[nH]c3c(=O)n(CCC(=O)NCC4CC4)cnc3c2c1
InChIInChI=1S/C18H20N4O2/c1-11-2-5-14-13(8-11)16-17(21-14)18(24)22(10-20-16)7-6-15(23)19-9-12-3-4-12/h2,5,8,10,12,21H,3-4,6-7,9H2,1H3,(H,19,23)
InChIKeyJRSIZVRGJPUEHR-UHFFFAOYSA-N
XLogP2.10
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylmethyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide 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 N-(cyclopropylmethyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide (CID 53028283) is N-(cyclopropylmethyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide is Cc1ccc2[nH]c3c(=O)n(CCC(=O)NCC4CC4)cnc3c2c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide?
The InChIKey is JRSIZVRGJPUEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-2-5-14-13(8-11)16-17(21-14)18(24)22(10-20-16)7-6-15(23)19-9-12-3-4-12/h2,5,8,10,12,21H,3-4,6-7,9H2,1H3,(H,19,23).
What are the key properties of N-(cyclopropylmethyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide?
N-(cyclopropylmethyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide has a molecular weight of 324.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide is sourced from PubChem (CID 53028283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).