2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide

C15H19N3O3 — CID 121017346

IUPAC2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide
SMILESCOCCOc1cc(C(=O)NCCn2cccc2)ccn1
InChIInChI=1S/C15H19N3O3/c1-20-10-11-21-14-12-13(4-5-16-14)15(19)17-6-9-18-7-2-3-8-18/h2-5,7-8,12H,6,9-11H2,1H3,(H,17,19)
InChIKeyBELPJNLHOWFFTI-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.34
Rot. Bonds8

About 2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide

2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide (PubChem CID 121017346) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide
PubChem CID121017346
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide
SMILESCOCCOc1cc(C(=O)NCCn2cccc2)ccn1
InChIInChI=1S/C15H19N3O3/c1-20-10-11-21-14-12-13(4-5-16-14)15(19)17-6-9-18-7-2-3-8-18/h2-5,7-8,12H,6,9-11H2,1H3,(H,17,19)
InChIKeyBELPJNLHOWFFTI-UHFFFAOYSA-N
XLogP1.34
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716250
2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide
CID 119100115
2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120515829
N-methoxy-2-(2-methoxyethoxy)-N-methylpyridine-4-carboxamide
CID 119100133
2-methoxy-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 84580344
2-methoxy-N-(2-phenylethyl)pyridine-4-carboxamide
CID 84580463
3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120531677
methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate
CID 121017369
2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide
CID 143484449
3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide
CID 90500669
2-[(2-methoxypyridine-4-carbonyl)amino]acetic acid
CID 170946630
2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide
CID 86968104

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide (CID 121017346) is 2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide is COCCOc1cc(C(=O)NCCn2cccc2)ccn1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide?
The InChIKey is BELPJNLHOWFFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-10-11-21-14-12-13(4-5-16-14)15(19)17-6-9-18-7-2-3-8-18/h2-5,7-8,12H,6,9-11H2,1H3,(H,17,19).
What are the key properties of 2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide?
2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 121017346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).