4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide

C14H23N3O2 — CID 106118907

IUPAC4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C14H23N3O2/c1-2-17-9-11(15)7-13(17)14(19)16-8-10-4-3-5-12(18)6-10/h7,9-10,12,18H,2-6,8,15H2,1H3,(H,16,19)
InChIKeyUDPYDRBYBBPXIQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.37
Rot. Bonds4

About 4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide

4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide (PubChem CID 106118907) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
PubChem CID106118907
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C14H23N3O2/c1-2-17-9-11(15)7-13(17)14(19)16-8-10-4-3-5-12(18)6-10/h7,9-10,12,18H,2-6,8,15H2,1H3,(H,16,19)
InChIKeyUDPYDRBYBBPXIQ-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrole-2-carboxamide
CID 61140181
4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide
CID 107411013
4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide
CID 66005799
4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63243289
4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61117906
5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611200
N-[(3-hydroxycyclohexyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 113241315
4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 106119092
5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide
CID 106118990
5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611207
4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43644117
5-ethyl-N-[(3-hydroxycyclohexyl)methyl]-1H-pyrazole-3-carboxamide
CID 111459726

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide (CID 106118907) is 4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NCC1CCCC(O)C1.
What is the InChIKey of 4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide?
The InChIKey is UDPYDRBYBBPXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-17-9-11(15)7-13(17)14(19)16-8-10-4-3-5-12(18)6-10/h7,9-10,12,18H,2-6,8,15H2,1H3,(H,16,19).
What are the key properties of 4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide?
4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[(3-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 106118907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).