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

C11H16N4O2 — CID 54934775

IUPAC2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
SMILESCN(C)C(=O)CCNc1ncccc1C(N)=O
InChIInChI=1S/C11H16N4O2/c1-15(2)9(16)5-7-14-11-8(10(12)17)4-3-6-13-11/h3-4,6H,5,7H2,1-2H3,(H2,12,17)(H,13,14)
InChIKeyCGAGEWBWLANYGI-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.07
Rot. Bonds5

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

2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide (PubChem CID 54934775) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
PubChem CID54934775
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
SMILESCN(C)C(=O)CCNc1ncccc1C(N)=O
InChIInChI=1S/C11H16N4O2/c1-15(2)9(16)5-7-14-11-8(10(12)17)4-3-6-13-11/h3-4,6H,5,7H2,1-2H3,(H2,12,17)(H,13,14)
InChIKeyCGAGEWBWLANYGI-UHFFFAOYSA-N
XLogP0.07
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
CID 43311020
2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 29033562
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide
CID 61064041
2-(butylamino)pyridine-3-carboxamide
CID 29031037
2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide
CID 62977992
3-[(2-amino-3-pyridinyl)amino]-N,N-dimethylpropanamide
CID 104540220
2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 112686364
2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437
2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
CID 106337875
2-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875486
2-(2-phenoxyethylamino)pyridine-3-carboxamide
CID 34013927

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide (CID 54934775) is 2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide is CN(C)C(=O)CCNc1ncccc1C(N)=O.
What is the InChIKey of 2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide?
The InChIKey is CGAGEWBWLANYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-15(2)9(16)5-7-14-11-8(10(12)17)4-3-6-13-11/h3-4,6H,5,7H2,1-2H3,(H2,12,17)(H,13,14).
What are the key properties of 2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide?
2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide has a molecular weight of 236.28 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 54934775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).