N,2-diamino-N'-(3-chloro-2,6-difluorophenyl)-5-pyridin-3-ylpyridine-3-carboximidamide

C17H13ClF2N6 — CID 143549199

IUPACN,2-diamino-N'-(3-chloro-2,6-difluorophenyl)-5-pyridin-3-ylpyridine-3-carboximidamide
SMILESNN/C(=N\c1c(F)ccc(Cl)c1F)c1cc(-c2cccnc2)cnc1N
InChIInChI=1S/C17H13ClF2N6/c18-12-3-4-13(19)15(14(12)20)25-17(26-22)11-6-10(8-24-16(11)21)9-2-1-5-23-7-9/h1-8H,22H2,(H2,21,24)(H,25,26)
InChIKeyPQGWTXFNYDZLNB-UHFFFAOYSA-N
MW374.78 g/mol
LogP3.20
Rot. Bonds3

About N,2-diamino-N'-(3-chloro-2,6-difluorophenyl)-5-pyridin-3-ylpyridine-3-carboximidamide

N,2-diamino-N'-(3-chloro-2,6-difluorophenyl)-5-pyridin-3-ylpyridine-3-carboximidamide (PubChem CID 143549199) has the molecular formula C17H13ClF2N6 and a molecular weight of 374.78 g/mol. Its IUPAC name is N,2-diamino-N'-(3-chloro-2,6-difluorophenyl)-5-pyridin-3-ylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN,2-diamino-N'-(3-chloro-2,6-difluorophenyl)-5-pyridin-3-ylpyridine-3-carboximidamide
PubChem CID143549199
Molecular FormulaC17H13ClF2N6
Molecular Weight374.78 g/mol
Exact Mass374.09
IUPAC NameN,2-diamino-N'-(3-chloro-2,6-difluorophenyl)-5-pyridin-3-ylpyridine-3-carboximidamide
SMILESNN/C(=N\c1c(F)ccc(Cl)c1F)c1cc(-c2cccnc2)cnc1N
InChIInChI=1S/C17H13ClF2N6/c18-12-3-4-13(19)15(14(12)20)25-17(26-22)11-6-10(8-24-16(11)21)9-2-1-5-23-7-9/h1-8H,22H2,(H2,21,24)(H,25,26)
InChIKeyPQGWTXFNYDZLNB-UHFFFAOYSA-N
XLogP3.20
TPSA102.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,2-diamino-N'-(3-chloro-2,6-difluorophenyl)-5-pyridin-3-ylpyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Chloro-2-{2-[phenyl(pyridin-2-yl)methylidene]hydrazin-1-yl}pyridine
CID 6519698
5-(4-Chlorophenyl)-[3,3'-bipyridine]-6,6'-diamine
CID 118701008
N2'-(trans-4-aminocyclohexyl)-5'-chloro-N6-(3,5-difluorobenzyl)-2,4'-bipyridine-2',6-diamine
CID 50908321
N2'-((1R,3R)-3-aminocyclopentyl)-5'-chloro-N6-(3-fluorobenzyl)-2,4'-bipyridine-2',6-diamine
CID 58127237
5'-chloro-N6-(3-fluorobenzyl)-2,4'-bipyridine-2',6-diamine
CID 58127283
5'-chloro-N6-(3-fluorobenzyl)-N2'-(piperidin-4-yl)-2,4'-bipyridine-2',6-diamine
CID 60142135
N2'-(trans-4-aminocyclohexyl)-5'-chloro-5-fluoro-N6-(3-fluorobenzyl)-2,4'-bipyridine-2',6-diamine
CID 66936965
5'-chloro-N6-(3-fluorobenzyl)-N2'-methyl-2,4'-bipyridine-2',6-diamine
CID 66937018
5-chloro-N-cyclohex-3-en-1-yl-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine
CID 66937052
N'-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine
CID 68405081
5-chloro-N-cyclohexyl-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine
CID 68405148
5-chloro-N-cyclopentyl-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine
CID 68405150

Frequently Asked Questions

What is the IUPAC name of N,2-diamino-N'-(3-chloro-2,6-difluorophenyl)-5-pyridin-3-ylpyridine-3-carboximidamide?
The IUPAC name of N,2-diamino-N'-(3-chloro-2,6-difluorophenyl)-5-pyridin-3-ylpyridine-3-carboximidamide (CID 143549199) is N,2-diamino-N'-(3-chloro-2,6-difluorophenyl)-5-pyridin-3-ylpyridine-3-carboximidamide.
What is the SMILES notation for N,2-diamino-N'-(3-chloro-2,6-difluorophenyl)-5-pyridin-3-ylpyridine-3-carboximidamide?
The canonical SMILES for N,2-diamino-N'-(3-chloro-2,6-difluorophenyl)-5-pyridin-3-ylpyridine-3-carboximidamide is NN/C(=N\c1c(F)ccc(Cl)c1F)c1cc(-c2cccnc2)cnc1N.
What is the InChIKey of N,2-diamino-N'-(3-chloro-2,6-difluorophenyl)-5-pyridin-3-ylpyridine-3-carboximidamide?
The InChIKey is PQGWTXFNYDZLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N6/c18-12-3-4-13(19)15(14(12)20)25-17(26-22)11-6-10(8-24-16(11)21)9-2-1-5-23-7-9/h1-8H,22H2,(H2,21,24)(H,25,26).
What are the key properties of N,2-diamino-N'-(3-chloro-2,6-difluorophenyl)-5-pyridin-3-ylpyridine-3-carboximidamide?
N,2-diamino-N'-(3-chloro-2,6-difluorophenyl)-5-pyridin-3-ylpyridine-3-carboximidamide has a molecular weight of 374.78 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diamino-N'-(3-chloro-2,6-difluorophenyl)-5-pyridin-3-ylpyridine-3-carboximidamide is sourced from PubChem (CID 143549199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).