4-amino-1-ethyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide

C13H23N3O2 — CID 107150585

IUPAC4-amino-1-ethyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCC(O)CC(C)C
InChIInChI=1S/C13H23N3O2/c1-4-16-8-10(14)6-12(16)13(18)15-7-11(17)5-9(2)3/h6,8-9,11,17H,4-5,7,14H2,1-3H3,(H,15,18)
InChIKeyLAPNUYGEUBLYEJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.23
Rot. Bonds6

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

4-amino-1-ethyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide (PubChem CID 107150585) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
PubChem CID107150585
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-amino-1-ethyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCC(O)CC(C)C
InChIInChI=1S/C13H23N3O2/c1-4-16-8-10(14)6-12(16)13(18)15-7-11(17)5-9(2)3/h6,8-9,11,17H,4-5,7,14H2,1-3H3,(H,15,18)
InChIKeyLAPNUYGEUBLYEJ-UHFFFAOYSA-N
XLogP1.23
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.23
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-hydroxypropyl)pyrrole-2-carboxamide
CID 43643619
4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide
CID 113483947
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,N-bis(3-methylbutyl)pyrrole-2-carboxamide
CID 61106069
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-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 113495460
4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide
CID 106249305
4-amino-1-ethyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrole-2-carboxamide
CID 61140181
4-bromo-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83031512

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide (CID 107150585) is 4-amino-1-ethyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NCC(O)CC(C)C.
What is the InChIKey of 4-amino-1-ethyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide?
The InChIKey is LAPNUYGEUBLYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-16-8-10(14)6-12(16)13(18)15-7-11(17)5-9(2)3/h6,8-9,11,17H,4-5,7,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-1-ethyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.23, 6 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-hydroxy-4-methylpentyl)pyrrole-2-carboxamide is sourced from PubChem (CID 107150585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).