2-amino-6-cyclopentyl-4-[4-(3-methylphenoxy)phenyl]pyridine-3-carboximidamide

C24H26N4O — CID 67574554

IUPAC2-amino-6-cyclopentyl-4-[4-(3-methylphenoxy)phenyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc(Oc3cccc(C)c3)cc2)cc(C2CCCC2)nc1N
InChIInChI=1S/C24H26N4O/c1-15-5-4-8-19(13-15)29-18-11-9-16(10-12-18)20-14-21(17-6-2-3-7-17)28-24(27)22(20)23(25)26/h4-5,8-14,17H,2-3,6-7H2,1H3,(H3,25,26)(H2,27,28)
InChIKeyVIOHUZGVFNUSPB-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.37
Rot. Bonds5

About 2-amino-6-cyclopentyl-4-[4-(3-methylphenoxy)phenyl]pyridine-3-carboximidamide

2-amino-6-cyclopentyl-4-[4-(3-methylphenoxy)phenyl]pyridine-3-carboximidamide (PubChem CID 67574554) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-amino-6-cyclopentyl-4-[4-(3-methylphenoxy)phenyl]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-amino-6-cyclopentyl-4-[4-(3-methylphenoxy)phenyl]pyridine-3-carboximidamide
PubChem CID67574554
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-amino-6-cyclopentyl-4-[4-(3-methylphenoxy)phenyl]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(-c2ccc(Oc3cccc(C)c3)cc2)cc(C2CCCC2)nc1N
InChIInChI=1S/C24H26N4O/c1-15-5-4-8-19(13-15)29-18-11-9-16(10-12-18)20-14-21(17-6-2-3-7-17)28-24(27)22(20)23(25)26/h4-5,8-14,17H,2-3,6-7H2,1H3,(H3,25,26)(H2,27,28)
InChIKeyVIOHUZGVFNUSPB-UHFFFAOYSA-N
XLogP5.37
TPSA98.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-amino-6-cyclopentyl-4-[4-(3-methylphenoxy)phenyl]pyridine-3-carboximidamide?
The IUPAC name of 2-amino-6-cyclopentyl-4-[4-(3-methylphenoxy)phenyl]pyridine-3-carboximidamide (CID 67574554) is 2-amino-6-cyclopentyl-4-[4-(3-methylphenoxy)phenyl]pyridine-3-carboximidamide.
What is the SMILES notation for 2-amino-6-cyclopentyl-4-[4-(3-methylphenoxy)phenyl]pyridine-3-carboximidamide?
The canonical SMILES for 2-amino-6-cyclopentyl-4-[4-(3-methylphenoxy)phenyl]pyridine-3-carboximidamide is [H]/N=C(\N)c1c(-c2ccc(Oc3cccc(C)c3)cc2)cc(C2CCCC2)nc1N.
What is the InChIKey of 2-amino-6-cyclopentyl-4-[4-(3-methylphenoxy)phenyl]pyridine-3-carboximidamide?
The InChIKey is VIOHUZGVFNUSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-15-5-4-8-19(13-15)29-18-11-9-16(10-12-18)20-14-21(17-6-2-3-7-17)28-24(27)22(20)23(25)26/h4-5,8-14,17H,2-3,6-7H2,1H3,(H3,25,26)(H2,27,28).
What are the key properties of 2-amino-6-cyclopentyl-4-[4-(3-methylphenoxy)phenyl]pyridine-3-carboximidamide?
2-amino-6-cyclopentyl-4-[4-(3-methylphenoxy)phenyl]pyridine-3-carboximidamide has a molecular weight of 386.50 g/mol, XLogP of 5.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-cyclopentyl-4-[4-(3-methylphenoxy)phenyl]pyridine-3-carboximidamide is sourced from PubChem (CID 67574554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).