1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide

C14H21N3O2 — CID 114693607

IUPAC1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESCOCCn1cccc1C(=O)NCC1=CCNCC1
InChIInChI=1S/C14H21N3O2/c1-19-10-9-17-8-2-3-13(17)14(18)16-11-12-4-6-15-7-5-12/h2-4,8,15H,5-7,9-11H2,1H3,(H,16,18)
InChIKeyXFHGCLYFKPDKJR-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.78
Rot. Bonds6

About 1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide

1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide (PubChem CID 114693607) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide
PubChem CID114693607
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESCOCCn1cccc1C(=O)NCC1=CCNCC1
InChIInChI=1S/C14H21N3O2/c1-19-10-9-17-8-2-3-13(17)14(18)16-11-12-4-6-15-7-5-12/h2-4,8,15H,5-7,9-11H2,1H3,(H,16,18)
InChIKeyXFHGCLYFKPDKJR-UHFFFAOYSA-N
XLogP0.78
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 114693924
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 112748853
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608589
1-(2-methoxyethyl)-N-(4-methylpiperidin-4-yl)pyrrole-2-carboxamide
CID 114696201
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
4-bromo-1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 114693723
N-(2,3-dihydroxy-2-methylpropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609704
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609713
N-(3-amino-2-hydroxy-3-oxopropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114152525
1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide
CID 106223251
N-(3-ethyl-2-hydroxypentyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 106287615
5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 114608677

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide (CID 114693607) is 1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide is COCCn1cccc1C(=O)NCC1=CCNCC1.
What is the InChIKey of 1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is XFHGCLYFKPDKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-10-9-17-8-2-3-13(17)14(18)16-11-12-4-6-15-7-5-12/h2-4,8,15H,5-7,9-11H2,1H3,(H,16,18).
What are the key properties of 1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide?
1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114693607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).