4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide

C14H26N4O — CID 43642758

IUPAC4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C14H26N4O/c1-6-18-8-11(15)7-12(18)13(19)16-9-14(2,3)10-17(4)5/h7-8H,6,9-10,15H2,1-5H3,(H,16,19)
InChIKeyNENKSLPTYIWRRX-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.41
Rot. Bonds6

About 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide

4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide (PubChem CID 43642758) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide
PubChem CID43642758
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C14H26N4O/c1-6-18-8-11(15)7-12(18)13(19)16-9-14(2,3)10-17(4)5/h7-8H,6,9-10,15H2,1-5H3,(H,16,19)
InChIKeyNENKSLPTYIWRRX-UHFFFAOYSA-N
XLogP1.41
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
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-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide
CID 113478489
4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide
CID 106249305
4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-ethylpyrrole-2-carboxamide
CID 106143135
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-methyl-2-thiophen-2-ylpropyl)pyrrole-2-carboxamide
CID 80526910
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 63228692
4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43641881
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614959
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-ethyl-4-nitropyrrole-2-carboxamide
CID 106143234
4-bromo-N-(2,2-dimethylbutyl)-1-ethylpyrrole-2-carboxamide
CID 103461921

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide (CID 43642758) is 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NCC(C)(C)CN(C)C.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide?
The InChIKey is NENKSLPTYIWRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-18-8-11(15)7-12(18)13(19)16-9-14(2,3)10-17(4)5/h7-8H,6,9-10,15H2,1-5H3,(H,16,19).
What are the key properties of 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide?
4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 43642758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).