4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide

C14H23N3O — CID 61110308

IUPAC4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(CC1CCCCC1)C(=O)c1cc(N)cn1C
InChIInChI=1S/C14H23N3O/c1-16-10-12(15)8-13(16)14(18)17(2)9-11-6-4-3-5-7-11/h8,10-11H,3-7,9,15H2,1-2H3
InChIKeyZDZWEGLLJQIEIL-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.26
Rot. Bonds3

About 4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide

4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 61110308) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide
PubChem CID61110308
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(CC1CCCCC1)C(=O)c1cc(N)cn1C
InChIInChI=1S/C14H23N3O/c1-16-10-12(15)8-13(16)14(18)17(2)9-11-6-4-3-5-7-11/h8,10-11H,3-7,9,15H2,1-2H3
InChIKeyZDZWEGLLJQIEIL-UHFFFAOYSA-N
XLogP2.26
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide
CID 61109172
4-amino-1-ethyl-N-methyl-N-(oxan-3-ylmethyl)pyrrole-2-carboxamide
CID 63725531
4-amino-N-cyclobutyl-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide
CID 102858837
2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide
CID 63632253
4-amino-N,1-dimethyl-N-(oxan-4-yl)pyrrole-2-carboxamide
CID 43644107
4-amino-N-(cyclohexylmethyl)-N,1,3-trimethylpyrazole-5-carboxamide
CID 66125536
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54978696
cyclopentyl 4-amino-1-methylpyrrole-2-carboxylate
CID 61309814
4-amino-N,1-dimethyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrole-2-carboxamide
CID 61110785
4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43644117
5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide
CID 113381864

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide (CID 61110308) is 4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide is CN(CC1CCCCC1)C(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is ZDZWEGLLJQIEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16-10-12(15)8-13(16)14(18)17(2)9-11-6-4-3-5-7-11/h8,10-11H,3-7,9,15H2,1-2H3.
What are the key properties of 4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide?
4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 61110308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).