2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide

C12H18N4O2 — CID 113278138

IUPAC2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
SMILESCNC(=O)C(C)(C)CNc1ncccc1C(N)=O
InChIInChI=1S/C12H18N4O2/c1-12(2,11(18)14-3)7-16-10-8(9(13)17)5-4-6-15-10/h4-6H,7H2,1-3H3,(H2,13,17)(H,14,18)(H,15,16)
InChIKeyIBRUNBKFAYDPHD-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.36
Rot. Bonds5

About 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide

2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide (PubChem CID 113278138) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
PubChem CID113278138
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
SMILESCNC(=O)C(C)(C)CNc1ncccc1C(N)=O
InChIInChI=1S/C12H18N4O2/c1-12(2,11(18)14-3)7-16-10-8(9(13)17)5-4-6-15-10/h4-6H,7H2,1-3H3,(H2,13,17)(H,14,18)(H,15,16)
InChIKeyIBRUNBKFAYDPHD-UHFFFAOYSA-N
XLogP0.36
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 114167524
2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide
CID 113334693
2-(methylcarbamoylamino)pyridine-3-carboxamide
CID 88995807
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide
CID 78962887
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-fluoropyridine-4-carboxylic acid
CID 106278197
2-(butylamino)pyridine-3-carboxamide
CID 29031037
N,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide
CID 103823304
2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
CID 43311020
2-(2,2-dimethylbutylamino)pyridine-3-carbothioamide
CID 103461840
2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
CID 106337875
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
3-[(3-cyanopyrazin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823311

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide (CID 113278138) is 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide is CNC(=O)C(C)(C)CNc1ncccc1C(N)=O.
What is the InChIKey of 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide?
The InChIKey is IBRUNBKFAYDPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(2,11(18)14-3)7-16-10-8(9(13)17)5-4-6-15-10/h4-6H,7H2,1-3H3,(H2,13,17)(H,14,18)(H,15,16).
What are the key properties of 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide?
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 113278138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).