N'-amino-6-naphthalen-1-yl-N-phenyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboximidamide

C33H26N6 — CID 123254346

IUPACN'-amino-6-naphthalen-1-yl-N-phenyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboximidamide
SMILESNN=C(c1cccc(-c2cccc3ccccc23)n1)N(Cc1cccc(-c2ccccn2)n1)c1ccccc1
InChIInChI=1S/C33H26N6/c34-38-33(32-21-10-19-29(37-32)28-17-8-12-24-11-4-5-16-27(24)28)39(26-14-2-1-3-15-26)23-25-13-9-20-31(36-25)30-18-6-7-22-35-30/h1-22H,23,34H2
InChIKeyHSFJGVWIDDRCLO-UHFFFAOYSA-N
MW506.61 g/mol
LogP6.69
Rot. Bonds6

About N'-amino-6-naphthalen-1-yl-N-phenyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboximidamide

N'-amino-6-naphthalen-1-yl-N-phenyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboximidamide (PubChem CID 123254346) has the molecular formula C33H26N6 and a molecular weight of 506.61 g/mol. Its IUPAC name is N'-amino-6-naphthalen-1-yl-N-phenyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-amino-6-naphthalen-1-yl-N-phenyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboximidamide
PubChem CID123254346
Molecular FormulaC33H26N6
Molecular Weight506.61 g/mol
Exact Mass506.22
IUPAC NameN'-amino-6-naphthalen-1-yl-N-phenyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboximidamide
SMILESNN=C(c1cccc(-c2cccc3ccccc23)n1)N(Cc1cccc(-c2ccccn2)n1)c1ccccc1
InChIInChI=1S/C33H26N6/c34-38-33(32-21-10-19-29(37-32)28-17-8-12-24-11-4-5-16-27(24)28)39(26-14-2-1-3-15-26)23-25-13-9-20-31(36-25)30-18-6-7-22-35-30/h1-22H,23,34H2
InChIKeyHSFJGVWIDDRCLO-UHFFFAOYSA-N
XLogP6.69
TPSA80.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-6-naphthalen-1-yl-N-phenyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboximidamide?
The IUPAC name of N'-amino-6-naphthalen-1-yl-N-phenyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboximidamide (CID 123254346) is N'-amino-6-naphthalen-1-yl-N-phenyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-amino-6-naphthalen-1-yl-N-phenyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-amino-6-naphthalen-1-yl-N-phenyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboximidamide is NN=C(c1cccc(-c2cccc3ccccc23)n1)N(Cc1cccc(-c2ccccn2)n1)c1ccccc1.
What is the InChIKey of N'-amino-6-naphthalen-1-yl-N-phenyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboximidamide?
The InChIKey is HSFJGVWIDDRCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N6/c34-38-33(32-21-10-19-29(37-32)28-17-8-12-24-11-4-5-16-27(24)28)39(26-14-2-1-3-15-26)23-25-13-9-20-31(36-25)30-18-6-7-22-35-30/h1-22H,23,34H2.
What are the key properties of N'-amino-6-naphthalen-1-yl-N-phenyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboximidamide?
N'-amino-6-naphthalen-1-yl-N-phenyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboximidamide has a molecular weight of 506.61 g/mol, XLogP of 6.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-6-naphthalen-1-yl-N-phenyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 123254346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).