5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide

C12H17N5O2 — CID 114090352

IUPAC5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide
SMILESCOCCN(CCC#N)c1cc(C(N)=O)c(N)cn1
InChIInChI=1S/C12H17N5O2/c1-19-6-5-17(4-2-3-13)11-7-9(12(15)18)10(14)8-16-11/h7-8H,2,4-6,14H2,1H3,(H2,15,18)
InChIKeyBLRHAPCHZYZUBM-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.13
Rot. Bonds7

About 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide

5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide (PubChem CID 114090352) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide
PubChem CID114090352
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide
SMILESCOCCN(CCC#N)c1cc(C(N)=O)c(N)cn1
InChIInChI=1S/C12H17N5O2/c1-19-6-5-17(4-2-3-13)11-7-9(12(15)18)10(14)8-16-11/h7-8H,2,4-6,14H2,1H3,(H2,15,18)
InChIKeyBLRHAPCHZYZUBM-UHFFFAOYSA-N
XLogP0.13
TPSA118.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]benzamide
CID 55221201
5-amino-2-[2-(dimethylamino)ethyl-propylamino]pyridine-4-carboxamide
CID 114090298
methyl 5-amino-2-[2-cyanoethyl(cyclopropyl)amino]pyridine-4-carboxylate
CID 114090241
3-[(6-chloropyrazin-2-yl)-(2-methoxyethyl)amino]propanenitrile
CID 63286441
5-bromo-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid
CID 55170952
3-[(5-amino-6-propoxy-2-pyridinyl)-(2-methoxyethyl)amino]propanenitrile
CID 63285578
3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile
CID 63286973
3-[2-methoxyethyl(pyridazin-3-yl)amino]propanenitrile
CID 63286635
3-[(2-amino-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80830637
methyl 5-amino-3-chloro-2-[2-cyanoethyl(2-methoxyethyl)amino]benzoate
CID 107195834
3-[3-amino-N-(2-methoxyethyl)-4-methylanilino]propanenitrile
CID 63285271
3-[(2-chloro-6-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 63286901

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide (CID 114090352) is 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide is COCCN(CCC#N)c1cc(C(N)=O)c(N)cn1.
What is the InChIKey of 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide?
The InChIKey is BLRHAPCHZYZUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-19-6-5-17(4-2-3-13)11-7-9(12(15)18)10(14)8-16-11/h7-8H,2,4-6,14H2,1H3,(H2,15,18).
What are the key properties of 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide?
5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 114090352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).