5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide

C13H21N3O2 — CID 79384484

IUPAC5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(CN)cn1
InChIInChI=1S/C13H21N3O2/c1-4-16(9-13(2,3)18)12(17)11-6-5-10(7-14)8-15-11/h5-6,8,18H,4,7,9,14H2,1-3H3
InChIKeyPDQYFUWNNXDACS-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.77
Rot. Bonds5

About 5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide

5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide (PubChem CID 79384484) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
PubChem CID79384484
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(CN)cn1
InChIInChI=1S/C13H21N3O2/c1-4-16(9-13(2,3)18)12(17)11-6-5-10(7-14)8-15-11/h5-6,8,18H,4,7,9,14H2,1-3H3
InChIKeyPDQYFUWNNXDACS-UHFFFAOYSA-N
XLogP0.77
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide
CID 55229815
5-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide
CID 63724556
4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384782
5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 63723207
5-(aminomethyl)-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 55229435
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
CID 107396959
5-(aminomethyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide
CID 63723531
5-(aminomethyl)-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 63724390
N-ethyl-5-(ethylamino)-N-(2-hydroxy-2-methylpropyl)pyrazine-2-carboxamide
CID 107376148
5-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-2-carboxamide
CID 79483346
6-(diethylcarbamoyl)pyridine-3-carboxylic acid
CID 43427227
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 115278279

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide (CID 79384484) is 5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide is CCN(CC(C)(C)O)C(=O)c1ccc(CN)cn1.
What is the InChIKey of 5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is PDQYFUWNNXDACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-16(9-13(2,3)18)12(17)11-6-5-10(7-14)8-15-11/h5-6,8,18H,4,7,9,14H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide?
5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 79384484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).