4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide

C15H27N3O — CID 61107299

IUPAC4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
SMILESCC(C)CN(C(=O)c1cc(N)cn1C(C)C)C(C)C
InChIInChI=1S/C15H27N3O/c1-10(2)8-18(12(5)6)15(19)14-7-13(16)9-17(14)11(3)4/h7,9-12H,8,16H2,1-6H3
InChIKeyOTHFGVYHXKFNGW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.16
Rot. Bonds5

About 4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide

4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide (PubChem CID 61107299) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
PubChem CID61107299
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
SMILESCC(C)CN(C(=O)c1cc(N)cn1C(C)C)C(C)C
InChIInChI=1S/C15H27N3O/c1-10(2)8-18(12(5)6)15(19)14-7-13(16)9-17(14)11(3)4/h7,9-12H,8,16H2,1-6H3
InChIKeyOTHFGVYHXKFNGW-UHFFFAOYSA-N
XLogP3.16
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 43643965
4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide
CID 43643434
4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643482
4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
CID 43643428
4-amino-N-[(2-hydroxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 61116466
4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 43643422
4-methylpentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61310055
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62636228
ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 45089372
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-1-cyclopropyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrole-2-carboxamide
CID 79489755

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide (CID 61107299) is 4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide is CC(C)CN(C(=O)c1cc(N)cn1C(C)C)C(C)C.
What is the InChIKey of 4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide?
The InChIKey is OTHFGVYHXKFNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(2)8-18(12(5)6)15(19)14-7-13(16)9-17(14)11(3)4/h7,9-12H,8,16H2,1-6H3.
What are the key properties of 4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide?
4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 61107299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).