4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide

C10H17N3O2 — CID 43643619

IUPAC4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCC(C)O
InChIInChI=1S/C10H17N3O2/c1-3-13-6-8(11)4-9(13)10(15)12-5-7(2)14/h4,6-7,14H,3,5,11H2,1-2H3,(H,12,15)
InChIKeyQFBYELGXGIKKNI-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.20
Rot. Bonds4

About 4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide

4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide (PubChem CID 43643619) has the molecular formula C10H17N3O2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide
PubChem CID43643619
Molecular FormulaC10H17N3O2
Molecular Weight211.27 g/mol
Exact Mass211.13
IUPAC Name4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCC(C)O
InChIInChI=1S/C10H17N3O2/c1-3-13-6-8(11)4-9(13)10(15)12-5-7(2)14/h4,6-7,14H,3,5,11H2,1-2H3,(H,12,15)
InChIKeyQFBYELGXGIKKNI-UHFFFAOYSA-N
XLogP0.20
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 93254371
4-amino-1-ethyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
CID 107150585
4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide
CID 113483947
4-bromo-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83031512
1-ethyl-N-[(2S)-2-hydroxypropyl]-4-nitropyrrole-2-carboxamide
CID 83058880
4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide
CID 93254381
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614959
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 63228692
4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
CID 61139515
4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide
CID 106249305
4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide
CID 43642758
4-amino-1-ethyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrole-2-carboxamide
CID 61140181

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide (CID 43643619) is 4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NCC(C)O.
What is the InChIKey of 4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide?
The InChIKey is QFBYELGXGIKKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-13-6-8(11)4-9(13)10(15)12-5-7(2)14/h4,6-7,14H,3,5,11H2,1-2H3,(H,12,15).
What are the key properties of 4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide has a molecular weight of 211.27 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43643619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).