N-[5-amino-2-(pyridin-4-ylamino)phenyl]methanimidoyl iodide

C12H11IN4 — CID 138535096

IUPACN-[5-amino-2-(pyridin-4-ylamino)phenyl]methanimidoyl iodide
SMILESNc1ccc(Nc2ccncc2)c(/N=C/I)c1
InChIInChI=1S/C12H11IN4/c13-8-16-12-7-9(14)1-2-11(12)17-10-3-5-15-6-4-10/h1-8H,14H2,(H,15,17)/b16-8+
InChIKeyRHPSKDSCVOUWPN-LZYBPNLTSA-N
MW338.15 g/mol
LogP3.50
Rot. Bonds3

About N-[5-amino-2-(pyridin-4-ylamino)phenyl]methanimidoyl iodide

N-[5-amino-2-(pyridin-4-ylamino)phenyl]methanimidoyl iodide (PubChem CID 138535096) has the molecular formula C12H11IN4 and a molecular weight of 338.15 g/mol. Its IUPAC name is N-[5-amino-2-(pyridin-4-ylamino)phenyl]methanimidoyl iodide.

Molecular Properties

Compound NameN-[5-amino-2-(pyridin-4-ylamino)phenyl]methanimidoyl iodide
PubChem CID138535096
Molecular FormulaC12H11IN4
Molecular Weight338.15 g/mol
Exact Mass338.00
IUPAC NameN-[5-amino-2-(pyridin-4-ylamino)phenyl]methanimidoyl iodide
SMILESNc1ccc(Nc2ccncc2)c(/N=C/I)c1
InChIInChI=1S/C12H11IN4/c13-8-16-12-7-9(14)1-2-11(12)17-10-3-5-15-6-4-10/h1-8H,14H2,(H,15,17)/b16-8+
InChIKeyRHPSKDSCVOUWPN-LZYBPNLTSA-N
XLogP3.50
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-N-pyridin-4-ylbenzene-1,4-diamine
CID 157044293
4-N-pyridin-4-ylquinoline-4,6-diamine
CID 91040633
4-chloro-1-N-pyridin-4-ylbenzene-1,2-diamine
CID 2815904
4-bromo-2-N-pyridin-4-ylbenzene-1,2-diamine
CID 90093407
4,5-dimethyl-2-N-pyridin-4-ylbenzene-1,2-diamine
CID 115126655
3-amino-4-(pyridin-4-ylamino)benzonitrile
CID 115127397
1-N-(4-tert-butylphenyl)-2-iodobenzene-1,4-diamine
CID 66094558
2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine
CID 29067094
4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 155404523
4-N-(4-aminophenyl)sulfanyl-1-N-pyridin-4-ylbenzene-1,4-diamine
CID 157043975
1-N-(2-chloro-4-pyridinyl)-2-fluorobenzene-1,4-diamine
CID 134408936
5-amino-2-[(4-methyl-3-pyridinyl)amino]benzamide
CID 55202661

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(pyridin-4-ylamino)phenyl]methanimidoyl iodide?
The IUPAC name of N-[5-amino-2-(pyridin-4-ylamino)phenyl]methanimidoyl iodide (CID 138535096) is N-[5-amino-2-(pyridin-4-ylamino)phenyl]methanimidoyl iodide.
What is the SMILES notation for N-[5-amino-2-(pyridin-4-ylamino)phenyl]methanimidoyl iodide?
The canonical SMILES for N-[5-amino-2-(pyridin-4-ylamino)phenyl]methanimidoyl iodide is Nc1ccc(Nc2ccncc2)c(/N=C/I)c1.
What is the InChIKey of N-[5-amino-2-(pyridin-4-ylamino)phenyl]methanimidoyl iodide?
The InChIKey is RHPSKDSCVOUWPN-LZYBPNLTSA-N. The full InChI is InChI=1S/C12H11IN4/c13-8-16-12-7-9(14)1-2-11(12)17-10-3-5-15-6-4-10/h1-8H,14H2,(H,15,17)/b16-8+.
What are the key properties of N-[5-amino-2-(pyridin-4-ylamino)phenyl]methanimidoyl iodide?
N-[5-amino-2-(pyridin-4-ylamino)phenyl]methanimidoyl iodide has a molecular weight of 338.15 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(pyridin-4-ylamino)phenyl]methanimidoyl iodide is sourced from PubChem (CID 138535096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).