N-[(E)-[amino-(diaminomethylideneamino)methylidene]amino]pyridine-4-carboxamide

C8H11N7O — CID 5479723

IUPACN-[(E)-[amino-(diaminomethylideneamino)methylidene]amino]pyridine-4-carboxamide
SMILESNC(N)=N/C(N)=N/NC(=O)c1ccncc1
InChIInChI=1S/C8H11N7O/c9-7(10)13-8(11)15-14-6(16)5-1-3-12-4-2-5/h1-4H,(H,14,16)(H6,9,10,11,13,15)
InChIKeyVLUGABSNMVONFJ-UHFFFAOYSA-N
MW221.22 g/mol
LogP-1.69
Rot. Bonds2

About N-[(E)-[amino-(diaminomethylideneamino)methylidene]amino]pyridine-4-carboxamide

N-[(E)-[amino-(diaminomethylideneamino)methylidene]amino]pyridine-4-carboxamide (PubChem CID 5479723) has the molecular formula C8H11N7O and a molecular weight of 221.22 g/mol. Its IUPAC name is N-[(E)-[amino-(diaminomethylideneamino)methylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[amino-(diaminomethylideneamino)methylidene]amino]pyridine-4-carboxamide
PubChem CID5479723
Molecular FormulaC8H11N7O
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC NameN-[(E)-[amino-(diaminomethylideneamino)methylidene]amino]pyridine-4-carboxamide
SMILESNC(N)=N/C(N)=N/NC(=O)c1ccncc1
InChIInChI=1S/C8H11N7O/c9-7(10)13-8(11)15-14-6(16)5-1-3-12-4-2-5/h1-4H,(H,14,16)(H6,9,10,11,13,15)
InChIKeyVLUGABSNMVONFJ-UHFFFAOYSA-N
XLogP-1.69
TPSA144.77 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[amino-(diaminomethylideneamino)methylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[amino-(diaminomethylideneamino)methylidene]amino]pyridine-4-carboxamide (CID 5479723) is N-[(E)-[amino-(diaminomethylideneamino)methylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[amino-(diaminomethylideneamino)methylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[amino-(diaminomethylideneamino)methylidene]amino]pyridine-4-carboxamide is NC(N)=N/C(N)=N/NC(=O)c1ccncc1.
What is the InChIKey of N-[(E)-[amino-(diaminomethylideneamino)methylidene]amino]pyridine-4-carboxamide?
The InChIKey is VLUGABSNMVONFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7O/c9-7(10)13-8(11)15-14-6(16)5-1-3-12-4-2-5/h1-4H,(H,14,16)(H6,9,10,11,13,15).
What are the key properties of N-[(E)-[amino-(diaminomethylideneamino)methylidene]amino]pyridine-4-carboxamide?
N-[(E)-[amino-(diaminomethylideneamino)methylidene]amino]pyridine-4-carboxamide has a molecular weight of 221.22 g/mol, XLogP of -1.69, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[amino-(diaminomethylideneamino)methylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 5479723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).