4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

C17H26N2O2 — CID 15997837

IUPAC4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC2CCCCCC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C17H26N2O2/c1-4-14-15(12(3)20)11(2)18-16(14)17(21)19-13-9-7-5-6-8-10-13/h13,18H,4-10H2,1-3H3,(H,19,21)
InChIKeyHJDXOCKHOXCTOC-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.54
Rot. Bonds4

About 4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 15997837) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID15997837
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)NC2CCCCCC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C17H26N2O2/c1-4-14-15(12(3)20)11(2)18-16(14)17(21)19-13-9-7-5-6-8-10-13/h13,18H,4-10H2,1-3H3,(H,19,21)
InChIKeyHJDXOCKHOXCTOC-UHFFFAOYSA-N
XLogP3.54
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-3-ethyl-5-methyl-N-pyrrolidin-3-yl-1H-pyrrole-2-carboxamide
CID 119451704
ethyl 4-(cycloheptylcarbamoyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate
CID 20969693
4-acetyl-5-methyl-N-piperidin-4-yl-3-propyl-1H-pyrrole-2-carboxamide
CID 119388518
4-acetyl-N-(2-adamantyl)-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 112844893
4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229808
1-[4-ethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 119561742
4-acetyl-N-[(1R,2S)-7-chloro-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 155806024
4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 94800034
2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 119136993
4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 55858740
4-acetyl-5-methyl-N-(2-methylpiperidin-3-yl)-3-propyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 120577658
4-acetyl-3-ethyl-N-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-5-methyl-1H-pyrrole-2-carboxamide
CID 95290843

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (CID 15997837) is 4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)NC2CCCCCC2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is HJDXOCKHOXCTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-14-15(12(3)20)11(2)18-16(14)17(21)19-13-9-7-5-6-8-10-13/h13,18H,4-10H2,1-3H3,(H,19,21).
What are the key properties of 4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-cycloheptyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 15997837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).