2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide

C12H17N5O — CID 103468035

IUPAC2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1ncc(C#N)cc1N
InChIInChI=1S/C12H17N5O/c1-8(2)6-17(7-11(15)18)12-10(14)3-9(4-13)5-16-12/h3,5,8H,6-7,14H2,1-2H3,(H2,15,18)
InChIKeyNCURGIHCIWYADL-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.48
Rot. Bonds5

About 2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide

2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide (PubChem CID 103468035) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide
PubChem CID103468035
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1ncc(C#N)cc1N
InChIInChI=1S/C12H17N5O/c1-8(2)6-17(7-11(15)18)12-10(14)3-9(4-13)5-16-12/h3,5,8H,6-7,14H2,1-2H3,(H2,15,18)
InChIKeyNCURGIHCIWYADL-UHFFFAOYSA-N
XLogP0.48
TPSA109.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile
CID 103469180
2-[2-bromo-4-cyano-N-(2-methylpropyl)anilino]acetamide
CID 82798023
2-[(4-cyano-6-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetamide
CID 107544113
5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile
CID 103469188
2-[(2-amino-5-fluoropyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80820404
N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide
CID 63716939
2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid
CID 63064843
2-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]-(2-methylpropyl)amino]acetamide
CID 106747549
2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide
CID 102750804
2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide
CID 54989077
5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile
CID 103467234
5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile
CID 103468013

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide (CID 103468035) is 2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)c1ncc(C#N)cc1N.
What is the InChIKey of 2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide?
The InChIKey is NCURGIHCIWYADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8(2)6-17(7-11(15)18)12-10(14)3-9(4-13)5-16-12/h3,5,8H,6-7,14H2,1-2H3,(H2,15,18).
What are the key properties of 2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide?
2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 103468035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).