N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide

C17H27N3O — CID 114610515

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1cccn1C1CCC1
InChIInChI=1S/C17H27N3O/c1-16(2)14(18)17(3,4)15(16)19-13(21)12-9-6-10-20(12)11-7-5-8-11/h6,9-11,14-15H,5,7-8,18H2,1-4H3,(H,19,21)
InChIKeyWLKNYUBPCUYDAC-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.70
Rot. Bonds3

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide (PubChem CID 114610515) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide
PubChem CID114610515
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1cccn1C1CCC1
InChIInChI=1S/C17H27N3O/c1-16(2)14(18)17(3,4)15(16)19-13(21)12-9-6-10-20(12)11-7-5-8-11/h6,9-11,14-15H,5,7-8,18H2,1-4H3,(H,19,21)
InChIKeyWLKNYUBPCUYDAC-UHFFFAOYSA-N
XLogP2.70
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide
CID 114609767
N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide
CID 114610311
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide
CID 113250333
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410
methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 114610705
1-cyclopropyl-N-methoxypyrrole-2-carboxamide
CID 130688562
N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114610041
1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide
CID 114609401
1-cyclobutyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyrrole-2-carboxamide
CID 114609576
(3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone
CID 114610392
4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid
CID 114608562
1-cyclobutyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 114609194

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide (CID 114610515) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide is CC1(C)C(N)C(C)(C)C1NC(=O)c1cccn1C1CCC1.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide?
The InChIKey is WLKNYUBPCUYDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-16(2)14(18)17(3,4)15(16)19-13(21)12-9-6-10-20(12)11-7-5-8-11/h6,9-11,14-15H,5,7-8,18H2,1-4H3,(H,19,21).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-cyclobutylpyrrole-2-carboxamide is sourced from PubChem (CID 114610515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).