6-[15-(diaminomethylideneamino)-6-iminopentadecoxy]pyridine-3-carboximidamide

C22H39N7O — CID 162195050

IUPAC6-[15-(diaminomethylideneamino)-6-iminopentadecoxy]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCC/C(CCCCCCCCCN=C(N)N)=N/[H])nc1
InChIInChI=1S/C22H39N7O/c23-19(11-7-4-2-1-3-5-9-15-28-22(26)27)12-8-6-10-16-30-20-14-13-18(17-29-20)21(24)25/h13-14,17,23H,1-12,15-16H2,(H3,24,25)(H4,26,27,28)/b23-19+
InChIKeyZQVCPQQSGZXCOB-FCDQGJHFSA-N
MW417.60 g/mol
LogP3.72
Rot. Bonds18

About 6-[15-(diaminomethylideneamino)-6-iminopentadecoxy]pyridine-3-carboximidamide

6-[15-(diaminomethylideneamino)-6-iminopentadecoxy]pyridine-3-carboximidamide (PubChem CID 162195050) has the molecular formula C22H39N7O and a molecular weight of 417.60 g/mol. Its IUPAC name is 6-[15-(diaminomethylideneamino)-6-iminopentadecoxy]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[15-(diaminomethylideneamino)-6-iminopentadecoxy]pyridine-3-carboximidamide
PubChem CID162195050
Molecular FormulaC22H39N7O
Molecular Weight417.60 g/mol
Exact Mass417.32
IUPAC Name6-[15-(diaminomethylideneamino)-6-iminopentadecoxy]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCC/C(CCCCCCCCCN=C(N)N)=N/[H])nc1
InChIInChI=1S/C22H39N7O/c23-19(11-7-4-2-1-3-5-9-15-28-22(26)27)12-8-6-10-16-30-20-14-13-18(17-29-20)21(24)25/h13-14,17,23H,1-12,15-16H2,(H3,24,25)(H4,26,27,28)/b23-19+
InChIKeyZQVCPQQSGZXCOB-FCDQGJHFSA-N
XLogP3.72
TPSA160.24 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 53.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[15-(diaminomethylideneamino)-6-iminopentadecoxy]pyridine-3-carboximidamide?
The IUPAC name of 6-[15-(diaminomethylideneamino)-6-iminopentadecoxy]pyridine-3-carboximidamide (CID 162195050) is 6-[15-(diaminomethylideneamino)-6-iminopentadecoxy]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[15-(diaminomethylideneamino)-6-iminopentadecoxy]pyridine-3-carboximidamide?
The canonical SMILES for 6-[15-(diaminomethylideneamino)-6-iminopentadecoxy]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(OCCCCC/C(CCCCCCCCCN=C(N)N)=N/[H])nc1.
What is the InChIKey of 6-[15-(diaminomethylideneamino)-6-iminopentadecoxy]pyridine-3-carboximidamide?
The InChIKey is ZQVCPQQSGZXCOB-FCDQGJHFSA-N. The full InChI is InChI=1S/C22H39N7O/c23-19(11-7-4-2-1-3-5-9-15-28-22(26)27)12-8-6-10-16-30-20-14-13-18(17-29-20)21(24)25/h13-14,17,23H,1-12,15-16H2,(H3,24,25)(H4,26,27,28)/b23-19+.
What are the key properties of 6-[15-(diaminomethylideneamino)-6-iminopentadecoxy]pyridine-3-carboximidamide?
6-[15-(diaminomethylideneamino)-6-iminopentadecoxy]pyridine-3-carboximidamide has a molecular weight of 417.60 g/mol, XLogP of 3.72, 18 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[15-(diaminomethylideneamino)-6-iminopentadecoxy]pyridine-3-carboximidamide is sourced from PubChem (CID 162195050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).