4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide

C12H19N3O2 — CID 64927605

IUPAC4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NCC2CCCCC2O)c1
InChIInChI=1S/C12H19N3O2/c13-9-5-10(14-7-9)12(17)15-6-8-3-1-2-4-11(8)16/h5,7-8,11,14,16H,1-4,6,13H2,(H,15,17)
InChIKeyWMIMPKIHOOLHBH-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.88
Rot. Bonds3

About 4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide

4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 64927605) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID64927605
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NCC2CCCCC2O)c1
InChIInChI=1S/C12H19N3O2/c13-9-5-10(14-7-9)12(17)15-6-8-3-1-2-4-11(8)16/h5,7-8,11,14,16H,1-4,6,13H2,(H,15,17)
InChIKeyWMIMPKIHOOLHBH-UHFFFAOYSA-N
XLogP0.88
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrrole-2-carboxylic acid cyclohexylmethyl-amide
CID 11127444
N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-1H-pyrrole-2-carboxamide
CID 75433983
CID 139584846
CID 139584846
antibiotic TAN 868 A
CID 135602250
N-(2-hydroxy-4,4-dimethylpentyl)-1H-pyrrole-2-carboxamide
CID 56793426
N-(2-hydroxy-3-phenylpropyl)-1-methylpyrrole-2-carboxamide
CID 71855723
N-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide
CID 75498993
N-[1-(trans-3-hydroxycyclobutyl)propyl]-1-isopropyl-1H-pyrrole-2-carboxamide
CID 91763967
4-cyano-N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 97220773
4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1H-pyrrole-2-carboxamide
CID 132299755
4-amino-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 43642302
4-amino-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 43642338

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide (CID 64927605) is 4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)NCC2CCCCC2O)c1.
What is the InChIKey of 4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is WMIMPKIHOOLHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-9-5-10(14-7-9)12(17)15-6-8-3-1-2-4-11(8)16/h5,7-8,11,14,16H,1-4,6,13H2,(H,15,17).
What are the key properties of 4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.88, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 64927605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).