2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide

C12H18N4O3 — CID 112686364

IUPAC2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
SMILESCOCCNC(=O)CCNc1ncccc1C(N)=O
InChIInChI=1S/C12H18N4O3/c1-19-8-7-14-10(17)4-6-16-12-9(11(13)18)3-2-5-15-12/h2-3,5H,4,6-8H2,1H3,(H2,13,18)(H,14,17)(H,15,16)
InChIKeyUAZSOLLXQLGGMN-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.25
Rot. Bonds8

About 2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide

2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide (PubChem CID 112686364) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
PubChem CID112686364
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
SMILESCOCCNC(=O)CCNc1ncccc1C(N)=O
InChIInChI=1S/C12H18N4O3/c1-19-8-7-14-10(17)4-6-16-12-9(11(13)18)3-2-5-15-12/h2-3,5H,4,6-8H2,1H3,(H2,13,18)(H,14,17)(H,15,16)
InChIKeyUAZSOLLXQLGGMN-UHFFFAOYSA-N
XLogP-0.25
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide
CID 61064041
N-(2-methoxyethyl)-3-(pyridin-2-ylamino)propanamide
CID 47371043
2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 54934775
2-(butylamino)pyridine-3-carboxamide
CID 29031037
2-(2-phenoxyethylamino)pyridine-3-carboxamide
CID 34013927
2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)acetamide
CID 115575489
3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 113409561
2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
CID 106337875
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide
CID 62178636
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
3-(2,6-diethylanilino)-N-(2-methoxyethyl)propanamide
CID 109015061
2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide
CID 113362577

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide (CID 112686364) is 2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide is COCCNC(=O)CCNc1ncccc1C(N)=O.
What is the InChIKey of 2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide?
The InChIKey is UAZSOLLXQLGGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-19-8-7-14-10(17)4-6-16-12-9(11(13)18)3-2-5-15-12/h2-3,5H,4,6-8H2,1H3,(H2,13,18)(H,14,17)(H,15,16).
What are the key properties of 2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide?
2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.25, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 112686364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).