4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride

C15H26ClN3O2 — CID 120654198

IUPAC4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1[nH]c(C)c(C(C)=O)c1CC.Cl
InChIInChI=1S/C15H25N3O2.ClH/c1-6-12-13(11(5)19)10(4)18-14(12)15(20)17-8-9(3)16-7-2;/h9,16,18H,6-8H2,1-5H3,(H,17,20);1H/t9-;/m1./s1
InChIKeyVLWYKUVMXFGDNY-SBSPUUFOSA-N
MW315.85 g/mol
LogP2.24
Rot. Bonds7

About 4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride

4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 120654198) has the molecular formula C15H26ClN3O2 and a molecular weight of 315.85 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID120654198
Molecular FormulaC15H26ClN3O2
Molecular Weight315.85 g/mol
Exact Mass315.17
IUPAC Name4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1[nH]c(C)c(C(C)=O)c1CC.Cl
InChIInChI=1S/C15H25N3O2.ClH/c1-6-12-13(11(5)19)10(4)18-14(12)15(20)17-8-9(3)16-7-2;/h9,16,18H,6-8H2,1-5H3,(H,17,20);1H/t9-;/m1./s1
InChIKeyVLWYKUVMXFGDNY-SBSPUUFOSA-N
XLogP2.24
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 120651755
4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide
CID 120829396
4-acetyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119526236
4-acetyl-3-ethyl-5-methyl-N-(3-methyl-2-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 60511170
3-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 119237217
3-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]-2-phenylpropanoic acid
CID 119254874
4-acetyl-3-ethyl-5-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 75494133
4-acetyl-3-ethyl-5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrrole-2-carboxamide;hydrochloride
CID 120813312
4-acetyl-3-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1H-pyrrole-2-carboxamide
CID 109381141
2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 119136993
4-acetyl-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 55949481
4-acetyl-3-ethyl-5-methyl-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 94800034

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride (CID 120654198) is 4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)c1[nH]c(C)c(C(C)=O)c1CC.Cl.
What is the InChIKey of 4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is VLWYKUVMXFGDNY-SBSPUUFOSA-N. The full InChI is InChI=1S/C15H25N3O2.ClH/c1-6-12-13(11(5)19)10(4)18-14(12)15(20)17-8-9(3)16-7-2;/h9,16,18H,6-8H2,1-5H3,(H,17,20);1H/t9-;/m1./s1.
What are the key properties of 4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride?
4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 120654198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).