N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide

C16H25N3O — CID 114610482

IUPACN-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide
SMILESCN(C(=O)c1cccn1C1CCC1)C1CCC(N)CC1
InChIInChI=1S/C16H25N3O/c1-18(13-9-7-12(17)8-10-13)16(20)15-6-3-11-19(15)14-4-2-5-14/h3,6,11-14H,2,4-5,7-10,17H2,1H3
InChIKeyGANWPYQEGOVEJQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.56
Rot. Bonds3

About N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide

N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide (PubChem CID 114610482) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide
PubChem CID114610482
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide
SMILESCN(C(=O)c1cccn1C1CCC1)C1CCC(N)CC1
InChIInChI=1S/C16H25N3O/c1-18(13-9-7-12(17)8-10-13)16(20)15-6-3-11-19(15)14-4-2-5-14/h3,6,11-14H,2,4-5,7-10,17H2,1H3
InChIKeyGANWPYQEGOVEJQ-UHFFFAOYSA-N
XLogP2.56
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 114608607
N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide
CID 114610428
(3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone
CID 114610392
1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 114609355
2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 43639286
1-cyclohexylpyrrole-2-carboxamide
CID 150262171
1-cyclopropyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60962060
2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 114608759
N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716452
N-(azepan-4-yl)-N,1-dimethylpyrrole-2-carboxamide
CID 104974495
N-(4-aminocyclohexyl)-4-hydroxy-N-methylbenzamide
CID 79121540
1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide
CID 114609917

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide (CID 114610482) is N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide is CN(C(=O)c1cccn1C1CCC1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide?
The InChIKey is GANWPYQEGOVEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18(13-9-7-12(17)8-10-13)16(20)15-6-3-11-19(15)14-4-2-5-14/h3,6,11-14H,2,4-5,7-10,17H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide?
N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 114610482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).