N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide

C12H19N3O — CID 115303317

IUPACN-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESCC(C)(N)CNC(=O)c1cccn1C1CC1
InChIInChI=1S/C12H19N3O/c1-12(2,13)8-14-11(16)10-4-3-7-15(10)9-5-6-9/h3-4,7,9H,5-6,8,13H2,1-2H3,(H,14,16)
InChIKeyFJOQMUYQCCDLBD-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.29
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide

N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide (PubChem CID 115303317) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide
PubChem CID115303317
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide
SMILESCC(C)(N)CNC(=O)c1cccn1C1CC1
InChIInChI=1S/C12H19N3O/c1-12(2,13)8-14-11(16)10-4-3-7-15(10)9-5-6-9/h3-4,7,9H,5-6,8,13H2,1-2H3,(H,14,16)
InChIKeyFJOQMUYQCCDLBD-UHFFFAOYSA-N
XLogP1.29
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-cyclopropyl-N-(4-hydroxy-2,2-dimethylpentyl)pyrrole-2-carboxamide
CID 110007410
1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide
CID 114609625
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739845
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
1-cyclopropyl-N-methoxypyrrole-2-carboxamide
CID 130688562
N-(1-amino-2,4-dimethylpentan-2-yl)-1-cyclopropylpyrrole-2-carboxamide
CID 115309753
1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide
CID 122561755
1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
CID 81494193
6-[(1-cyclopropylpyrrole-2-carbonyl)amino]hexanoic acid
CID 43639266
1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 62541280

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide (CID 115303317) is N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide is CC(C)(N)CNC(=O)c1cccn1C1CC1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide?
The InChIKey is FJOQMUYQCCDLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,13)8-14-11(16)10-4-3-7-15(10)9-5-6-9/h3-4,7,9H,5-6,8,13H2,1-2H3,(H,14,16).
What are the key properties of N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide?
N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide is sourced from PubChem (CID 115303317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).