N-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide

C14H23N3O2 — CID 114610479

IUPACN-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCn1cccc1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C14H23N3O2/c1-19-10-9-17-8-2-3-13(17)14(18)16-12-6-4-11(15)5-7-12/h2-3,8,11-12H,4-7,9-10,15H2,1H3,(H,16,18)
InChIKeyAAHDMZHXRUTUJV-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.13
Rot. Bonds5

About N-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide

N-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide (PubChem CID 114610479) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
PubChem CID114610479
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCn1cccc1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C14H23N3O2/c1-19-10-9-17-8-2-3-13(17)14(18)16-12-6-4-11(15)5-7-12/h2-3,8,11-12H,4-7,9-10,15H2,1H3,(H,16,18)
InChIKeyAAHDMZHXRUTUJV-UHFFFAOYSA-N
XLogP1.13
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610014
4-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808069
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
(4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610606
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608589
cis-(1R,3S)-3-[(1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321385
N-[1-(hydroxymethyl)cyclopropyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609814
2-[2-[(1-methylpiperidin-4-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79324781
1-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 114608926
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 112748853
N-(3-amino-2-hydroxy-3-oxopropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114152525
N-[(3R)-piperidin-3-yl]-1-propylpyrrole-2-carboxamide
CID 113436690

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide (CID 114610479) is N-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide is COCCn1cccc1C(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The InChIKey is AAHDMZHXRUTUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-19-10-9-17-8-2-3-13(17)14(18)16-12-6-4-11(15)5-7-12/h2-3,8,11-12H,4-7,9-10,15H2,1H3,(H,16,18).
What are the key properties of N-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
N-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114610479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).