4-amino-N-(1-cyclopropylethyl)-N,1-dimethylpyrrole-2-carboxamide

C12H19N3O — CID 43643844

IUPAC4-amino-N-(1-cyclopropylethyl)-N,1-dimethylpyrrole-2-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1cc(N)cn1C
InChIInChI=1S/C12H19N3O/c1-8(9-4-5-9)15(3)12(16)11-6-10(13)7-14(11)2/h6-9H,4-5,13H2,1-3H3
InChIKeyBGEHXBULGSXXNT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.48
Rot. Bonds3

About 4-amino-N-(1-cyclopropylethyl)-N,1-dimethylpyrrole-2-carboxamide

4-amino-N-(1-cyclopropylethyl)-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 43643844) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylethyl)-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylethyl)-N,1-dimethylpyrrole-2-carboxamide
PubChem CID43643844
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-amino-N-(1-cyclopropylethyl)-N,1-dimethylpyrrole-2-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1cc(N)cn1C
InChIInChI=1S/C12H19N3O/c1-8(9-4-5-9)15(3)12(16)11-6-10(13)7-14(11)2/h6-9H,4-5,13H2,1-3H3
InChIKeyBGEHXBULGSXXNT-UHFFFAOYSA-N
XLogP1.48
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide
CID 43644107
4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide
CID 102858837
4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide
CID 61110308
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61106865
1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one
CID 131496462
4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrrole-2-carboxamide
CID 62001975
4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide
CID 62636568
4-amino-N,N-dibutyl-1-methylpyrrole-2-carboxamide
CID 43643260
4-amino-N-(1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
CID 107074108
4-amino-N-(2-methoxyethyl)-1-methyl-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106233
4-amino-1-cyclopropyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 61108907
4-amino-N-[2-(diethylamino)ethyl]-1-methyl-N-(2-methylpropyl)pyrrole-2-carboxamide
CID 61105477

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylethyl)-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(1-cyclopropylethyl)-N,1-dimethylpyrrole-2-carboxamide (CID 43643844) is 4-amino-N-(1-cyclopropylethyl)-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylethyl)-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylethyl)-N,1-dimethylpyrrole-2-carboxamide is CC(C1CC1)N(C)C(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N-(1-cyclopropylethyl)-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is BGEHXBULGSXXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(9-4-5-9)15(3)12(16)11-6-10(13)7-14(11)2/h6-9H,4-5,13H2,1-3H3.
What are the key properties of 4-amino-N-(1-cyclopropylethyl)-N,1-dimethylpyrrole-2-carboxamide?
4-amino-N-(1-cyclopropylethyl)-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylethyl)-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 43643844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).