N'-(pyridin-2-ylamino)pyridine-2-carboximidamide

C22H22N10 — CID 139161473

IUPACN'-(pyridin-2-ylamino)pyridine-2-carboximidamide
SMILESN/C(=N\Nc1ccccn1)c1ccccn1.N/C(=N\Nc1ccccn1)c1ccccn1
InChIInChI=1S/2C11H11N5/c2*12-11(9-5-1-3-7-13-9)16-15-10-6-2-4-8-14-10/h2*1-8H,(H2,12,16)(H,14,15)
InChIKeyYMWLOWPOCXCUQQ-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.42
Rot. Bonds6

About N'-(pyridin-2-ylamino)pyridine-2-carboximidamide

N'-(pyridin-2-ylamino)pyridine-2-carboximidamide (PubChem CID 139161473) has the molecular formula C22H22N10 and a molecular weight of 426.49 g/mol. Its IUPAC name is N'-(pyridin-2-ylamino)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-(pyridin-2-ylamino)pyridine-2-carboximidamide
PubChem CID139161473
Molecular FormulaC22H22N10
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC NameN'-(pyridin-2-ylamino)pyridine-2-carboximidamide
SMILESN/C(=N\Nc1ccccn1)c1ccccn1.N/C(=N\Nc1ccccn1)c1ccccn1
InChIInChI=1S/2C11H11N5/c2*12-11(9-5-1-3-7-13-9)16-15-10-6-2-4-8-14-10/h2*1-8H,(H2,12,16)(H,14,15)
InChIKeyYMWLOWPOCXCUQQ-UHFFFAOYSA-N
XLogP2.42
TPSA152.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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Related Compounds

N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
CID 6512079
N'-aminopyridine-2-carboximidamide
CID 5464234
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
N-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide
CID 4749358
N-[(Z)-[amino(pyridin-2-yl)methylidene]amino]-2-hydroxybenzamide
CID 15777277
N-[1-(4-phenylphenyl)ethylideneamino]pyridin-2-amine
CID 3582287
3-[(Z)-C-pyridin-2-yl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonic acid;dihydrate
CID 76845046
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine
CID 6145584
N-[(Z)-1-(4-bromophenyl)ethylideneamino]pyridin-2-amine
CID 6273160
pyridin-2-ylthiourea
CID 1490491
N'-[amino(methyl)amino]pyridine-2-carboximidamide
CID 172923686
2-[4-[(Z)-C-methyl-N-(pyridin-2-ylamino)carbonimidoyl]phenoxy]acetamide
CID 6217616

Frequently Asked Questions

What is the IUPAC name of N'-(pyridin-2-ylamino)pyridine-2-carboximidamide?
The IUPAC name of N'-(pyridin-2-ylamino)pyridine-2-carboximidamide (CID 139161473) is N'-(pyridin-2-ylamino)pyridine-2-carboximidamide.
What is the SMILES notation for N'-(pyridin-2-ylamino)pyridine-2-carboximidamide?
The canonical SMILES for N'-(pyridin-2-ylamino)pyridine-2-carboximidamide is N/C(=N\Nc1ccccn1)c1ccccn1.N/C(=N\Nc1ccccn1)c1ccccn1.
What is the InChIKey of N'-(pyridin-2-ylamino)pyridine-2-carboximidamide?
The InChIKey is YMWLOWPOCXCUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H11N5/c2*12-11(9-5-1-3-7-13-9)16-15-10-6-2-4-8-14-10/h2*1-8H,(H2,12,16)(H,14,15).
What are the key properties of N'-(pyridin-2-ylamino)pyridine-2-carboximidamide?
N'-(pyridin-2-ylamino)pyridine-2-carboximidamide has a molecular weight of 426.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(pyridin-2-ylamino)pyridine-2-carboximidamide is sourced from PubChem (CID 139161473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).