4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide

C14H23N3O2 — CID 43642114

IUPAC4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C14H23N3O2/c1-2-7-17-9-10(15)8-13(17)14(19)16-11-3-5-12(18)6-4-11/h8-9,11-12,18H,2-7,15H2,1H3,(H,16,19)
InChIKeyADPXSNBYBTVIHK-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.51
Rot. Bonds4

About 4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide

4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide (PubChem CID 43642114) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide
PubChem CID43642114
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C14H23N3O2/c1-2-7-17-9-10(15)8-13(17)14(19)16-11-3-5-12(18)6-4-11/h8-9,11-12,18H,2-7,15H2,1H3,(H,16,19)
InChIKeyADPXSNBYBTVIHK-UHFFFAOYSA-N
XLogP1.51
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3,3-dimethylcyclopentyl)-1-propylpyrrole-2-carboxamide
CID 114542693
4-amino-1-ethyl-N-(1-ethylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61139100
4-amino-N-(1,1-dioxothian-4-yl)-1-ethylpyrrole-2-carboxamide
CID 43644123
4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43642107
4-amino-N-(1-cyclohexylethyl)-1-propylpyrrole-2-carboxamide
CID 62403049
4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide
CID 60955169
4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61117906
4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63243289
4-amino-N-[2-(carbamoylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 83107929
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 63294148
4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide
CID 107411013
4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-propylpyrrole-2-carboxamide
CID 106179940

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide (CID 43642114) is 4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is ADPXSNBYBTVIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-7-17-9-10(15)8-13(17)14(19)16-11-3-5-12(18)6-4-11/h8-9,11-12,18H,2-7,15H2,1H3,(H,16,19).
What are the key properties of 4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide?
4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxycyclohexyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43642114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).