4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide

C19H31N3O3 — CID 18157774

IUPAC4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCC(CC(C)C)N2CCOCC2)c1C
InChIInChI=1S/C19H31N3O3/c1-12(2)10-16(22-6-8-25-9-7-22)11-20-19(24)18-13(3)17(15(5)23)14(4)21-18/h12,16,21H,6-11H2,1-5H3,(H,20,24)
InChIKeyNUAABSDTHPQBAI-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.31
Rot. Bonds7

About 4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide

4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide (PubChem CID 18157774) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide
PubChem CID18157774
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCC(CC(C)C)N2CCOCC2)c1C
InChIInChI=1S/C19H31N3O3/c1-12(2)10-16(22-6-8-25-9-7-22)11-20-19(24)18-13(3)17(15(5)23)14(4)21-18/h12,16,21H,6-11H2,1-5H3,(H,20,24)
InChIKeyNUAABSDTHPQBAI-UHFFFAOYSA-N
XLogP2.31
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

methyl 2-ethyl-4-methyl-5-[[(2S)-4-methyl-2-morpholin-4-ylpentyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 51909679
ethyl 2,4-dimethyl-5-[[(2R)-3-methyl-2-morpholin-4-ylbutyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 30379827
4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 51095665
4-acetyl-3,5-dimethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-1H-pyrrole-2-carboxamide
CID 94026516
2,3-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-indole-5-carboxamide
CID 46540916
N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrazole-4-carboxamide
CID 60786494
1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide
CID 43050213
N-(4-methyl-2-morpholin-4-ylpentyl)morpholine-4-carboxamide
CID 110403300
4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 120651755
(2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
CID 78968953
6-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 43050246
4-acetyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 46414503

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide (CID 18157774) is 4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NCC(CC(C)C)N2CCOCC2)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide?
The InChIKey is NUAABSDTHPQBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-12(2)10-16(22-6-8-25-9-7-22)11-20-19(24)18-13(3)17(15(5)23)14(4)21-18/h12,16,21H,6-11H2,1-5H3,(H,20,24).
What are the key properties of 4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18157774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).