4-[(3-amino-3-imino-2-methylpropyl)-methylamino]pyridine-2-carboxamide

C11H17N5O — CID 54992289

IUPAC4-[(3-amino-3-imino-2-methylpropyl)-methylamino]pyridine-2-carboxamide
SMILES[H]/N=C(\N)C(C)CN(C)c1ccnc(C(N)=O)c1
InChIInChI=1S/C11H17N5O/c1-7(10(12)13)6-16(2)8-3-4-15-9(5-8)11(14)17/h3-5,7H,6H2,1-2H3,(H3,12,13)(H2,14,17)
InChIKeyZZTDDAMVUBYGJR-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.19
Rot. Bonds5

About 4-[(3-amino-3-imino-2-methylpropyl)-methylamino]pyridine-2-carboxamide

4-[(3-amino-3-imino-2-methylpropyl)-methylamino]pyridine-2-carboxamide (PubChem CID 54992289) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[(3-amino-3-imino-2-methylpropyl)-methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3-amino-3-imino-2-methylpropyl)-methylamino]pyridine-2-carboxamide
PubChem CID54992289
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-[(3-amino-3-imino-2-methylpropyl)-methylamino]pyridine-2-carboxamide
SMILES[H]/N=C(\N)C(C)CN(C)c1ccnc(C(N)=O)c1
InChIInChI=1S/C11H17N5O/c1-7(10(12)13)6-16(2)8-3-4-15-9(5-8)11(14)17/h3-5,7H,6H2,1-2H3,(H3,12,13)(H2,14,17)
InChIKeyZZTDDAMVUBYGJR-UHFFFAOYSA-N
XLogP0.19
TPSA109.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-imino-2-methylpropyl)-methylamino]pyridine-2-carboxamide?
The IUPAC name of 4-[(3-amino-3-imino-2-methylpropyl)-methylamino]pyridine-2-carboxamide (CID 54992289) is 4-[(3-amino-3-imino-2-methylpropyl)-methylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(3-amino-3-imino-2-methylpropyl)-methylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-[(3-amino-3-imino-2-methylpropyl)-methylamino]pyridine-2-carboxamide is [H]/N=C(\N)C(C)CN(C)c1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[(3-amino-3-imino-2-methylpropyl)-methylamino]pyridine-2-carboxamide?
The InChIKey is ZZTDDAMVUBYGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7(10(12)13)6-16(2)8-3-4-15-9(5-8)11(14)17/h3-5,7H,6H2,1-2H3,(H3,12,13)(H2,14,17).
What are the key properties of 4-[(3-amino-3-imino-2-methylpropyl)-methylamino]pyridine-2-carboxamide?
4-[(3-amino-3-imino-2-methylpropyl)-methylamino]pyridine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-imino-2-methylpropyl)-methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 54992289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).