N-(4-hydroxycyclohexyl)-4-phenyl-1H-pyrrole-2-carboxamide

C17H20N2O2 — CID 169082725

IUPACN-(4-hydroxycyclohexyl)-4-phenyl-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cc(-c2ccccc2)c[nH]1
InChIInChI=1S/C17H20N2O2/c20-15-8-6-14(7-9-15)19-17(21)16-10-13(11-18-16)12-4-2-1-3-5-12/h1-5,10-11,14-15,18,20H,6-9H2,(H,19,21)
InChIKeyKTBMBUAIODMIGE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.71
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-4-phenyl-1H-pyrrole-2-carboxamide

N-(4-hydroxycyclohexyl)-4-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 169082725) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-phenyl-1H-pyrrole-2-carboxamide
PubChem CID169082725
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(4-hydroxycyclohexyl)-4-phenyl-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1cc(-c2ccccc2)c[nH]1
InChIInChI=1S/C17H20N2O2/c20-15-8-6-14(7-9-15)19-17(21)16-10-13(11-18-16)12-4-2-1-3-5-12/h1-5,10-11,14-15,18,20H,6-9H2,(H,19,21)
InChIKeyKTBMBUAIODMIGE-UHFFFAOYSA-N
XLogP2.71
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Statine-like inhibitor A
CID 6539218
N-methyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
CID 16110287
N-benzyl-1H-pyrrole-2-carboxamide
CID 11019886
N-2-phenylethyl-1H-pyrrole-2-carboxamide
CID 16110286
N-(3-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 16110288
3-[6-(But-3-En-1-Yl)-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl]-N,N-Dimethylbenzamide
CID 119081691
N,N-Dimethyl-3-(6-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl)benzamide
CID 119081692
3-{6-[(2e)-But-2-En-1-Yl]-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl}-N,N-Dimethylbenzamide
CID 121335190
Statine-like inhibitor 14
CID 6539219
Hydroxyethylamine-based inhibitor 16a
CID 6539267
Hydroxyethylamine-based inhibitor 16b
CID 6539268
Hydroxyethylamine-based inhibitor 17a
CID 6539274

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-phenyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-phenyl-1H-pyrrole-2-carboxamide (CID 169082725) is N-(4-hydroxycyclohexyl)-4-phenyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-phenyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-phenyl-1H-pyrrole-2-carboxamide is O=C(NC1CCC(O)CC1)c1cc(-c2ccccc2)c[nH]1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-phenyl-1H-pyrrole-2-carboxamide?
The InChIKey is KTBMBUAIODMIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-15-8-6-14(7-9-15)19-17(21)16-10-13(11-18-16)12-4-2-1-3-5-12/h1-5,10-11,14-15,18,20H,6-9H2,(H,19,21).
What are the key properties of N-(4-hydroxycyclohexyl)-4-phenyl-1H-pyrrole-2-carboxamide?
N-(4-hydroxycyclohexyl)-4-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 169082725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).