N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide

C20H16Cl3N5 — CID 171794080

About N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide

N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide (PubChem CID 171794080) has the molecular formula C20H16Cl3N5 and a molecular weight of 432.74 g/mol. Its IUPAC name is N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide.

Molecular Properties

• Compound Name: N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide
• PubChem CID: 171794080
• Molecular Formula: C20H16Cl3N5
• Molecular Weight: 432.74 g/mol
• Exact Mass: 431.05
• IUPAC Name: N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide
• SMILES: N/C=N/CCc1cc(Nc2cc(Cl)c(Cl)cn2)cc2c1[nH]c1ccc(Cl)cc12
• InChI: InChI=1S/C20H16Cl3N5/c21-12-1-2-18-14(6-12)15-7-13(27-19-8-16(22)17(23)9-26-19)5-11(20(15)28-18)3-4-25-10-24/h1-2,5-10,28H,3-4H2,(H2,24,25)(H,26,27)
• InChIKey: CRWSKERJQLRUHG-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 79.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.74
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide?

The IUPAC name of N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide (CID 171794080) is N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide.

What is the SMILES notation for N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide?

The canonical SMILES for N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide is N/C=N/CCc1cc(Nc2cc(Cl)c(Cl)cn2)cc2c1[nH]c1ccc(Cl)cc12.

What is the InChIKey of N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide?

The InChIKey is CRWSKERJQLRUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3N5/c21-12-1-2-18-14(6-12)15-7-13(27-19-8-16(22)17(23)9-26-19)5-11(20(15)28-18)3-4-25-10-24/h1-2,5-10,28H,3-4H2,(H2,24,25)(H,26,27).

What are the key properties of N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide?

N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide has a molecular weight of 432.74 g/mol, XLogP of 5.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-[6-chloro-3-[(4,5-dichloro-2-pyridinyl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide is sourced from PubChem (CID 171794080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).