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

C15H25N3O2 — CID 102631148

IUPAC4-amino-N-(2-hydroxycyclohexyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)N(C)C1CCCCC1O
InChIInChI=1S/C15H25N3O2/c1-10(2)18-9-11(16)8-13(18)15(20)17(3)12-6-4-5-7-14(12)19/h8-10,12,14,19H,4-7,16H2,1-3H3
InChIKeyXMCFBRZPBMMVCQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.03
Rot. Bonds3

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

4-amino-N-(2-hydroxycyclohexyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 102631148) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxycyclohexyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxycyclohexyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID102631148
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-amino-N-(2-hydroxycyclohexyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)N(C)C1CCCCC1O
InChIInChI=1S/C15H25N3O2/c1-10(2)18-9-11(16)8-13(18)15(20)17(3)12-6-4-5-7-14(12)19/h8-10,12,14,19H,4-7,16H2,1-3H3
InChIKeyXMCFBRZPBMMVCQ-UHFFFAOYSA-N
XLogP2.03
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-methyl-N-(2-methylcyclohexyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61104999
4-amino-N-cyclopentyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 43643422
cyclopentyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61309615
4-amino-N-(2-cyclopentylethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54932690
4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 115661025
4-amino-N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 43643965
4-amino-N-(2-methylpropyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 61107299
4-amino-N-methyl-N-(2-methylbutyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643482
4-amino-1-ethyl-N-methyl-N-(2-methylcyclohexyl)pyrrole-2-carboxamide
CID 61104997
(4-amino-1-propan-2-ylpyrrol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 61114045
N-(2-hydroxycyclohexyl)-N,1-dimethylpyrazole-4-carboxamide
CID 102634963
4-amino-N,1-di(propan-2-yl)-N-propylpyrrole-2-carboxamide
CID 43643434

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxycyclohexyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxycyclohexyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide (CID 102631148) is 4-amino-N-(2-hydroxycyclohexyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxycyclohexyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxycyclohexyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(N)cc1C(=O)N(C)C1CCCCC1O.
What is the InChIKey of 4-amino-N-(2-hydroxycyclohexyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is XMCFBRZPBMMVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(2)18-9-11(16)8-13(18)15(20)17(3)12-6-4-5-7-14(12)19/h8-10,12,14,19H,4-7,16H2,1-3H3.
What are the key properties of 4-amino-N-(2-hydroxycyclohexyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-(2-hydroxycyclohexyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxycyclohexyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 102631148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).