2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide

C13H21N3O2 — CID 113334693

IUPAC2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide
SMILESCCC(CC)(CO)CNc1ncccc1C(N)=O
InChIInChI=1S/C13H21N3O2/c1-3-13(4-2,9-17)8-16-12-10(11(14)18)6-5-7-15-12/h5-7,17H,3-4,8-9H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyIYVCOBLRQCNSKK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.39
Rot. Bonds7

About 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide

2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide (PubChem CID 113334693) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide
PubChem CID113334693
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide
SMILESCCC(CC)(CO)CNc1ncccc1C(N)=O
InChIInChI=1S/C13H21N3O2/c1-3-13(4-2,9-17)8-16-12-10(11(14)18)6-5-7-15-12/h5-7,17H,3-4,8-9H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyIYVCOBLRQCNSKK-UHFFFAOYSA-N
XLogP1.39
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 113278138
2-(2,2-dimethylbutylamino)pyridine-3-carbothioamide
CID 103461840
2-(butylamino)pyridine-3-carboxamide
CID 29031037
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide
CID 78962887
2-ethyl-2-[(pyrimidin-2-ylamino)methyl]butan-1-ol
CID 75431914
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106251492
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxamide
CID 61360383
2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
CID 43311020
4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrimidine-5-carboxylic acid
CID 114214902
N-[2-ethyl-2-(hydroxymethyl)butyl]quinoline-8-carboxamide
CID 103843875
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide
CID 81411204

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide (CID 113334693) is 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide is CCC(CC)(CO)CNc1ncccc1C(N)=O.
What is the InChIKey of 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide?
The InChIKey is IYVCOBLRQCNSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-13(4-2,9-17)8-16-12-10(11(14)18)6-5-7-15-12/h5-7,17H,3-4,8-9H2,1-2H3,(H2,14,18)(H,15,16).
What are the key properties of 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide?
2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 113334693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).