4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide

C14H25N3O2 — CID 106289281

IUPAC4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCC(C)(O)CCC
InChIInChI=1S/C14H25N3O2/c1-4-6-14(3,19)10-16-13(18)12-8-11(15)9-17(12)7-5-2/h8-9,19H,4-7,10,15H2,1-3H3,(H,16,18)
InChIKeyYHDIBQOFLWPHHJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.76
Rot. Bonds7

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

4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide (PubChem CID 106289281) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide
PubChem CID106289281
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NCC(C)(O)CCC
InChIInChI=1S/C14H25N3O2/c1-4-6-14(3,19)10-16-13(18)12-8-11(15)9-17(12)7-5-2/h8-9,19H,4-7,10,15H2,1-3H3,(H,16,18)
InChIKeyYHDIBQOFLWPHHJ-UHFFFAOYSA-N
XLogP1.76
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide
CID 106139513
4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106179940
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide
CID 106250582
4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-1-propylpyrrole-2-carboxamide
CID 106164046
4-amino-N-[2-(dimethylamino)propyl]-1-propylpyrrole-2-carboxamide
CID 61139515
4-amino-1-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
CID 106425327
4-amino-N-(2-ethyl-2-hydroxybutyl)-1-methylpyrrole-2-carboxamide
CID 65103767
4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 79385261
4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide
CID 113478489
4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63243289
4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61117906

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide (CID 106289281) is 4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NCC(C)(O)CCC.
What is the InChIKey of 4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is YHDIBQOFLWPHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-6-14(3,19)10-16-13(18)12-8-11(15)9-17(12)7-5-2/h8-9,19H,4-7,10,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide?
4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 106289281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).