4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide

C14H25N3O — CID 43643482

IUPAC4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCC(C)CN(C)C(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C14H25N3O/c1-6-11(4)8-16(5)14(18)13-7-12(15)9-17(13)10(2)3/h7,9-11H,6,8,15H2,1-5H3
InChIKeyBPLNHAIPCATHLG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.77
Rot. Bonds5

About 4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 43643482) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID43643482
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCC(C)CN(C)C(=O)c1cc(N)cn1C(C)C
InChIInChI=1S/C14H25N3O/c1-6-11(4)8-16(5)14(18)13-7-12(15)9-17(13)10(2)3/h7,9-11H,6,8,15H2,1-5H3
InChIKeyBPLNHAIPCATHLG-UHFFFAOYSA-N
XLogP2.77
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
CID 43643428
4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 61107299
4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide
CID 43643434
4-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 61116466
4-amino-N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 43643965
4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61106654
4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61115969
4-amino-N-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 43643792
4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 62335560
4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 43643422
ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 45089372
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62636228

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 43643482) is 4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide is CCC(C)CN(C)C(=O)c1cc(N)cn1C(C)C.
What is the InChIKey of 4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is BPLNHAIPCATHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-11(4)8-16(5)14(18)13-7-12(15)9-17(13)10(2)3/h7,9-11H,6,8,15H2,1-5H3.
What are the key properties of 4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 43643482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).