2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide

C10H13N5O — CID 61357286

IUPAC2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide
SMILESCN(CC(=O)NCC#N)c1ccncc1N
InChIInChI=1S/C10H13N5O/c1-15(7-10(16)14-5-3-11)9-2-4-13-6-8(9)12/h2,4,6H,5,7,12H2,1H3,(H,14,16)
InChIKeyLMLKTDFMVCMEAG-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.26
Rot. Bonds4

About 2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide

2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide (PubChem CID 61357286) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide
PubChem CID61357286
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide
SMILESCN(CC(=O)NCC#N)c1ccncc1N
InChIInChI=1S/C10H13N5O/c1-15(7-10(16)14-5-3-11)9-2-4-13-6-8(9)12/h2,4,6H,5,7,12H2,1H3,(H,14,16)
InChIKeyLMLKTDFMVCMEAG-UHFFFAOYSA-N
XLogP-0.26
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide (CID 61357286) is 2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide is CN(CC(=O)NCC#N)c1ccncc1N.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide?
The InChIKey is LMLKTDFMVCMEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-15(7-10(16)14-5-3-11)9-2-4-13-6-8(9)12/h2,4,6H,5,7,12H2,1H3,(H,14,16).
What are the key properties of 2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide?
2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide has a molecular weight of 219.25 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide is sourced from PubChem (CID 61357286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).