3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide

C11H15N5O — CID 106914216

IUPAC3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ncc(N)cc1C#N
InChIInChI=1S/C11H15N5O/c1-14-10(17)3-4-16(2)11-8(6-12)5-9(13)7-15-11/h5,7H,3-4,13H2,1-2H3,(H,14,17)
InChIKeySKODQKCKXPDZPG-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.11
Rot. Bonds4

About 3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide

3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide (PubChem CID 106914216) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide
PubChem CID106914216
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ncc(N)cc1C#N
InChIInChI=1S/C11H15N5O/c1-14-10(17)3-4-16(2)11-8(6-12)5-9(13)7-15-11/h5,7H,3-4,13H2,1-2H3,(H,14,17)
InChIKeySKODQKCKXPDZPG-UHFFFAOYSA-N
XLogP0.11
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide
CID 106915460
3-[(5-aminopyrimidin-2-yl)-methylamino]-N-methylpropanamide
CID 106914145
3-(4-amino-3-cyano-N-methylanilino)-N-methylpropanamide
CID 106914203
3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 103580195
3-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 106914232
2-[(5-amino-3-cyano-2-pyridinyl)-propan-2-ylamino]acetamide
CID 54989077
3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 106915466
3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide
CID 106914151
3-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]-N-methylpropanamide
CID 106914421
3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 104924164
5-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carbonitrile
CID 55013948
3-[[5-(aminomethyl)-2-pyridinyl]-methylamino]-N-methylpropanamide
CID 106914441

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide (CID 106914216) is 3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1ncc(N)cc1C#N.
What is the InChIKey of 3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide?
The InChIKey is SKODQKCKXPDZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-14-10(17)3-4-16(2)11-8(6-12)5-9(13)7-15-11/h5,7H,3-4,13H2,1-2H3,(H,14,17).
What are the key properties of 3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide?
3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide has a molecular weight of 233.28 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106914216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).