6-amino-4-(3-aminophenyl)-5-methanimidoylpyridine-2-carboxamide

C13H13N5O — CID 143380571

IUPAC6-amino-4-(3-aminophenyl)-5-methanimidoylpyridine-2-carboxamide
SMILES[H]/N=C/c1c(-c2cccc(N)c2)cc(C(N)=O)nc1N
InChIInChI=1S/C13H13N5O/c14-6-10-9(7-2-1-3-8(15)4-7)5-11(13(17)19)18-12(10)16/h1-6,14H,15H2,(H2,16,18)(H2,17,19)/b14-6+
InChIKeyHFLRVCZSTVXHNK-MKMNVTDBSA-N
MW255.28 g/mol
LogP1.01
Rot. Bonds3

About 6-amino-4-(3-aminophenyl)-5-methanimidoylpyridine-2-carboxamide

6-amino-4-(3-aminophenyl)-5-methanimidoylpyridine-2-carboxamide (PubChem CID 143380571) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-amino-4-(3-aminophenyl)-5-methanimidoylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-4-(3-aminophenyl)-5-methanimidoylpyridine-2-carboxamide
PubChem CID143380571
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name6-amino-4-(3-aminophenyl)-5-methanimidoylpyridine-2-carboxamide
SMILES[H]/N=C/c1c(-c2cccc(N)c2)cc(C(N)=O)nc1N
InChIInChI=1S/C13H13N5O/c14-6-10-9(7-2-1-3-8(15)4-7)5-11(13(17)19)18-12(10)16/h1-6,14H,15H2,(H2,16,18)(H2,17,19)/b14-6+
InChIKeyHFLRVCZSTVXHNK-MKMNVTDBSA-N
XLogP1.01
TPSA131.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(3-aminophenyl)-5-methanimidoylpyridine-2-carboxamide?
The IUPAC name of 6-amino-4-(3-aminophenyl)-5-methanimidoylpyridine-2-carboxamide (CID 143380571) is 6-amino-4-(3-aminophenyl)-5-methanimidoylpyridine-2-carboxamide.
What is the SMILES notation for 6-amino-4-(3-aminophenyl)-5-methanimidoylpyridine-2-carboxamide?
The canonical SMILES for 6-amino-4-(3-aminophenyl)-5-methanimidoylpyridine-2-carboxamide is [H]/N=C/c1c(-c2cccc(N)c2)cc(C(N)=O)nc1N.
What is the InChIKey of 6-amino-4-(3-aminophenyl)-5-methanimidoylpyridine-2-carboxamide?
The InChIKey is HFLRVCZSTVXHNK-MKMNVTDBSA-N. The full InChI is InChI=1S/C13H13N5O/c14-6-10-9(7-2-1-3-8(15)4-7)5-11(13(17)19)18-12(10)16/h1-6,14H,15H2,(H2,16,18)(H2,17,19)/b14-6+.
What are the key properties of 6-amino-4-(3-aminophenyl)-5-methanimidoylpyridine-2-carboxamide?
6-amino-4-(3-aminophenyl)-5-methanimidoylpyridine-2-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(3-aminophenyl)-5-methanimidoylpyridine-2-carboxamide is sourced from PubChem (CID 143380571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).