1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide

C14H25N3O — CID 120654873

IUPAC1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1cc(C)n(CC)c1C
InChIInChI=1S/C14H25N3O/c1-6-15-10(3)9-16-14(18)13-8-11(4)17(7-2)12(13)5/h8,10,15H,6-7,9H2,1-5H3,(H,16,18)/t10-/m1/s1
InChIKeyYYABJWZXKOQRMD-SNVBAGLBSA-N
MW251.37 g/mol
LogP1.85
Rot. Bonds6

About 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide

1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 120654873) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID120654873
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1cc(C)n(CC)c1C
InChIInChI=1S/C14H25N3O/c1-6-15-10(3)9-16-14(18)13-8-11(4)17(7-2)12(13)5/h8,10,15H,6-7,9H2,1-5H3,(H,16,18)/t10-/m1/s1
InChIKeyYYABJWZXKOQRMD-SNVBAGLBSA-N
XLogP1.85
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid
CID 119349121
3-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanoic acid
CID 119351480
1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide
CID 111480378
N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride
CID 120650270
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethylbenzamide
CID 120653289
N-(3-aminopropyl)-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 119407091
N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120654138
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethylbenzamide;hydrochloride
CID 120653288
4-[(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)amino]butanoic acid
CID 119353000
N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide
CID 120654085
1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide
CID 120654519
N-[(2R)-2-(ethylamino)propyl]-3,5-difluorobenzamide
CID 120653813

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide (CID 120654873) is 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide is CCN[C@H](C)CNC(=O)c1cc(C)n(CC)c1C.
What is the InChIKey of 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is YYABJWZXKOQRMD-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-15-10(3)9-16-14(18)13-8-11(4)17(7-2)12(13)5/h8,10,15H,6-7,9H2,1-5H3,(H,16,18)/t10-/m1/s1.
What are the key properties of 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide?
1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 120654873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).