4-acetyl-3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide

C12H17N3O3 — CID 32895816

IUPAC4-acetyl-3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
SMILESCNC(=O)CNC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C12H17N3O3/c1-6-10(8(3)16)7(2)15-11(6)12(18)14-5-9(17)13-4/h15H,5H2,1-4H3,(H,13,17)(H,14,18)
InChIKeyUEYQSXDTCLDRQV-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.31
Rot. Bonds4

About 4-acetyl-3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide

4-acetyl-3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide (PubChem CID 32895816) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
PubChem CID32895816
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-acetyl-3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
SMILESCNC(=O)CNC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C12H17N3O3/c1-6-10(8(3)16)7(2)15-11(6)12(18)14-5-9(17)13-4/h15H,5H2,1-4H3,(H,13,17)(H,14,18)
InChIKeyUEYQSXDTCLDRQV-UHFFFAOYSA-N
XLogP0.31
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695708
[2-(methylamino)-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 2120212
4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 120651755
methyl 5-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 17432796
4-acetyl-3,5-dimethyl-N-[4-(methylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide
CID 46603718
4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 4239577
4-acetyl-3,5-dimethyl-N-(3-phenylprop-2-ynyl)-1H-pyrrole-2-carboxamide
CID 51332477
4-acetyl-N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 120507986
4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide
CID 119536524
propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55835250
4-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 38993918
5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246100

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide (CID 32895816) is 4-acetyl-3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide is CNC(=O)CNC(=O)c1[nH]c(C)c(C(C)=O)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is UEYQSXDTCLDRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-6-10(8(3)16)7(2)15-11(6)12(18)14-5-9(17)13-4/h15H,5H2,1-4H3,(H,13,17)(H,14,18).
What are the key properties of 4-acetyl-3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 32895816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).