4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide

C12H21N3O — CID 43641881

IUPAC4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NC(C)(C)CC
InChIInChI=1S/C12H21N3O/c1-5-12(3,4)14-11(16)10-7-9(13)8-15(10)6-2/h7-8H,5-6,13H2,1-4H3,(H,14,16)
InChIKeyCQTDNDLRYYPZNO-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.01
Rot. Bonds4

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

4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide (PubChem CID 43641881) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide
PubChem CID43641881
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NC(C)(C)CC
InChIInChI=1S/C12H21N3O/c1-5-12(3,4)14-11(16)10-7-9(13)8-15(10)6-2/h7-8H,5-6,13H2,1-4H3,(H,14,16)
InChIKeyCQTDNDLRYYPZNO-UHFFFAOYSA-N
XLogP2.01
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]pyrrole-2-carboxamide
CID 106249305
4-amino-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide
CID 113478489
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 63228692
4-amino-1-ethyl-N-[(2S)-1-hydroxypropan-2-yl]pyrrole-2-carboxamide
CID 93254381
4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106179940
4-amino-N-(1-hydroxy-3-methylpentan-3-yl)-1-propylpyrrole-2-carboxamide
CID 106164046
4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethylpyrrole-2-carboxamide
CID 43642758
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614959
4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide
CID 43643619
4-amino-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 93254371
4-amino-1-ethyl-N-(4-methylphenyl)pyrrole-2-carboxamide
CID 43642219
4-amino-1-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrole-2-carboxamide
CID 106425287

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide (CID 43641881) is 4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NC(C)(C)CC.
What is the InChIKey of 4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide?
The InChIKey is CQTDNDLRYYPZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-12(3,4)14-11(16)10-7-9(13)8-15(10)6-2/h7-8H,5-6,13H2,1-4H3,(H,14,16).
What are the key properties of 4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(2-methylbutan-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 43641881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).