5-amino-6-[4-(2-methoxyethoxy)butylamino]pyridine-2-carboxamide

C13H22N4O3 — CID 114407848

IUPAC5-amino-6-[4-(2-methoxyethoxy)butylamino]pyridine-2-carboxamide
SMILESCOCCOCCCCNc1nc(C(N)=O)ccc1N
InChIInChI=1S/C13H22N4O3/c1-19-8-9-20-7-3-2-6-16-13-10(14)4-5-11(17-13)12(15)18/h4-5H,2-3,6-9,14H2,1H3,(H2,15,18)(H,16,17)
InChIKeyDFLWZRMSMUXBEX-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.62
Rot. Bonds10

About 5-amino-6-[4-(2-methoxyethoxy)butylamino]pyridine-2-carboxamide

5-amino-6-[4-(2-methoxyethoxy)butylamino]pyridine-2-carboxamide (PubChem CID 114407848) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-amino-6-[4-(2-methoxyethoxy)butylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-[4-(2-methoxyethoxy)butylamino]pyridine-2-carboxamide
PubChem CID114407848
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name5-amino-6-[4-(2-methoxyethoxy)butylamino]pyridine-2-carboxamide
SMILESCOCCOCCCCNc1nc(C(N)=O)ccc1N
InChIInChI=1S/C13H22N4O3/c1-19-8-9-20-7-3-2-6-16-13-10(14)4-5-11(17-13)12(15)18/h4-5H,2-3,6-9,14H2,1H3,(H2,15,18)(H,16,17)
InChIKeyDFLWZRMSMUXBEX-UHFFFAOYSA-N
XLogP0.62
TPSA112.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide
CID 114406169
5-amino-6-(5-methoxypentylamino)pyridine-2-carboxamide
CID 114131934
6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine
CID 114097569
6-(2-acetamidoethylamino)-5-aminopyridine-2-carboxamide
CID 114405486
5-amino-6-(4-methoxybutan-2-ylamino)pyridine-2-carboxamide
CID 114406795
methyl 5-amino-6-(4-methylsulfanylbutylamino)pyridine-2-carboxylate
CID 114407989
5-acetyl-3,6-bis[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propylamino]pyrazine-2-carboxamide
CID 58462486
methyl 5-amino-6-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 114406704
2-amino-5-[3-(2-methoxyethoxy)propylamino]benzamide
CID 114098605
5-amino-6-(2-methoxyethoxy)pyridine-2-carboxamide
CID 114408602
5-amino-6-(7-methyloctylamino)pyridine-2-carboxylic acid
CID 107817789
5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide
CID 106039404

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[4-(2-methoxyethoxy)butylamino]pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-[4-(2-methoxyethoxy)butylamino]pyridine-2-carboxamide (CID 114407848) is 5-amino-6-[4-(2-methoxyethoxy)butylamino]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-[4-(2-methoxyethoxy)butylamino]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-[4-(2-methoxyethoxy)butylamino]pyridine-2-carboxamide is COCCOCCCCNc1nc(C(N)=O)ccc1N.
What is the InChIKey of 5-amino-6-[4-(2-methoxyethoxy)butylamino]pyridine-2-carboxamide?
The InChIKey is DFLWZRMSMUXBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-19-8-9-20-7-3-2-6-16-13-10(14)4-5-11(17-13)12(15)18/h4-5H,2-3,6-9,14H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 5-amino-6-[4-(2-methoxyethoxy)butylamino]pyridine-2-carboxamide?
5-amino-6-[4-(2-methoxyethoxy)butylamino]pyridine-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 0.62, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[4-(2-methoxyethoxy)butylamino]pyridine-2-carboxamide is sourced from PubChem (CID 114407848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).