N-cyclohexyl-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide

C18H20N4O2 — CID 18525531

IUPACN-cyclohexyl-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide
SMILESO=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NC1CCCCC1
InChIInChI=1S/C18H20N4O2/c23-15(20-12-6-2-1-3-7-12)10-22-11-19-16-13-8-4-5-9-14(13)21-17(16)18(22)24/h4-5,8-9,11-12,21H,1-3,6-7,10H2,(H,20,23)
InChIKeyYIBTVGZSTDVFHS-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.33
Rot. Bonds3

About N-cyclohexyl-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide

N-cyclohexyl-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide (PubChem CID 18525531) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide
PubChem CID18525531
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-cyclohexyl-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide
SMILESO=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NC1CCCCC1
InChIInChI=1S/C18H20N4O2/c23-15(20-12-6-2-1-3-7-12)10-22-11-19-16-13-8-4-5-9-14(13)21-17(16)18(22)24/h4-5,8-9,11-12,21H,1-3,6-7,10H2,(H,20,23)
InChIKeyYIBTVGZSTDVFHS-UHFFFAOYSA-N
XLogP2.33
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-cyclohexyl-3-(8-methyl-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)propanamide
CID 53028180
2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(3-phenylpropyl)acetamide
CID 18525561
3-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-propan-2-ylpropanamide
CID 53028163
3-[3-[cyclohexyl(methyl)amino]propyl]-5H-pyrimido[5,4-b]indol-4-one
CID 6623456
N-cyclopentyl-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
CID 71681800
N-(3,4-dimethoxyphenyl)-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide
CID 18525529
N-cyclohexyl-2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
CID 2156226
N-[3-(N-ethylanilino)propyl]-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide
CID 18525555
N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide
CID 22334244
N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7886203
N-cyclopentyl-2-[[3-(2-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
CID 16816457

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide (CID 18525531) is N-cyclohexyl-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide is O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide?
The InChIKey is YIBTVGZSTDVFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-15(20-12-6-2-1-3-7-12)10-22-11-19-16-13-8-4-5-9-14(13)21-17(16)18(22)24/h4-5,8-9,11-12,21H,1-3,6-7,10H2,(H,20,23).
What are the key properties of N-cyclohexyl-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide?
N-cyclohexyl-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide is sourced from PubChem (CID 18525531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).