N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide

C14H22N2O2 — CID 113394900

IUPACN-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCCCCC2O)n1C
InChIInChI=1S/C14H22N2O2/c1-10-8-9-12(16(10)2)14(18)15-11-6-4-3-5-7-13(11)17/h8-9,11,13,17H,3-7H2,1-2H3,(H,15,18)
InChIKeyYDMJCMDCNXLWMT-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.76
Rot. Bonds2

About N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide

N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 113394900) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide
PubChem CID113394900
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCCCCC2O)n1C
InChIInChI=1S/C14H22N2O2/c1-10-8-9-12(16(10)2)14(18)15-11-6-4-3-5-7-13(11)17/h8-9,11,13,17H,3-7H2,1-2H3,(H,15,18)
InChIKeyYDMJCMDCNXLWMT-UHFFFAOYSA-N
XLogP1.76
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-1,5-dimethylpyrrole-2-carboxamide
CID 93452032
N-(2-aminocyclopentyl)-1,5-dimethylpyrrole-2-carboxamide
CID 63251565
4,5-dichloro-N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylpyrrole-2-carboxamide
CID 104927518
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213821
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,5-dimethylpyrrole-2-carboxamide
CID 43594241
cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320098
2,3,4,5,6-pentafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 102739213
N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 104927400
1-cyclobutyl-N-(2-hydroxycycloheptyl)pyrrole-2-carboxamide
CID 114609767
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylthiophene-2-carboxamide
CID 104957425
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 113241315

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide (CID 113394900) is N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide is Cc1ccc(C(=O)NC2CCCCCC2O)n1C.
What is the InChIKey of N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is YDMJCMDCNXLWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-8-9-12(16(10)2)14(18)15-11-6-4-3-5-7-13(11)17/h8-9,11,13,17H,3-7H2,1-2H3,(H,15,18).
What are the key properties of N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide?
N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycycloheptyl)-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 113394900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).