2-(9-methylcarbazol-3-yl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide

C21H20N4O2 — CID 135891044

IUPAC2-(9-methylcarbazol-3-yl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
SMILESCn1c2ccccc2c2cc(CC(=O)NCCc3cc(=O)[nH]cn3)ccc21
InChIInChI=1S/C21H20N4O2/c1-25-18-5-3-2-4-16(18)17-10-14(6-7-19(17)25)11-20(26)22-9-8-15-12-21(27)24-13-23-15/h2-7,10,12-13H,8-9,11H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyXMCUTGLFWQOKAU-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.32
Rot. Bonds5

About 2-(9-methylcarbazol-3-yl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide

2-(9-methylcarbazol-3-yl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide (PubChem CID 135891044) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(9-methylcarbazol-3-yl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(9-methylcarbazol-3-yl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
PubChem CID135891044
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-(9-methylcarbazol-3-yl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
SMILESCn1c2ccccc2c2cc(CC(=O)NCCc3cc(=O)[nH]cn3)ccc21
InChIInChI=1S/C21H20N4O2/c1-25-18-5-3-2-4-16(18)17-10-14(6-7-19(17)25)11-20(26)22-9-8-15-12-21(27)24-13-23-15/h2-7,10,12-13H,8-9,11H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyXMCUTGLFWQOKAU-UHFFFAOYSA-N
XLogP2.32
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-methyl-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]pyrazole-5-carboxamide
CID 135876443
5-[[[2-(9-methylcarbazol-3-yl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 90652793
2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113211396
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(9-methylcarbazol-3-yl)acetamide
CID 29209063
2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide
CID 674273
2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 11110676
N-benzyl-2-(7,9-dimethylcarbazol-2-yl)acetamide
CID 163300073
(2R)-2-(3-acetylindol-1-yl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]propanamide
CID 137151179
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136916523
2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide
CID 110712309
4-methyl-N-(2-pyridin-2-ylethyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97441858
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412

Frequently Asked Questions

What is the IUPAC name of 2-(9-methylcarbazol-3-yl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide?
The IUPAC name of 2-(9-methylcarbazol-3-yl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide (CID 135891044) is 2-(9-methylcarbazol-3-yl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(9-methylcarbazol-3-yl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(9-methylcarbazol-3-yl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide is Cn1c2ccccc2c2cc(CC(=O)NCCc3cc(=O)[nH]cn3)ccc21.
What is the InChIKey of 2-(9-methylcarbazol-3-yl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide?
The InChIKey is XMCUTGLFWQOKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-25-18-5-3-2-4-16(18)17-10-14(6-7-19(17)25)11-20(26)22-9-8-15-12-21(27)24-13-23-15/h2-7,10,12-13H,8-9,11H2,1H3,(H,22,26)(H,23,24,27).
What are the key properties of 2-(9-methylcarbazol-3-yl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide?
2-(9-methylcarbazol-3-yl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide has a molecular weight of 360.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methylcarbazol-3-yl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide is sourced from PubChem (CID 135891044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).