N'-[amino-(6-pyridin-2-yl-2-pyridinyl)methyl]-6-pyridin-2-ylpyridine-2-carboximidamide;2-(4-methylphenyl)naphthalene

C39H33N7 — CID 143633863

IUPACN'-[amino-(6-pyridin-2-yl-2-pyridinyl)methyl]-6-pyridin-2-ylpyridine-2-carboximidamide;2-(4-methylphenyl)naphthalene
SMILESCc1ccc(-c2ccc3ccccc3c2)cc1.N/C(=N\C(N)c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C22H19N7.C17H14/c23-21(19-11-5-9-17(27-19)15-7-1-3-13-25-15)29-22(24)20-12-6-10-18(28-20)16-8-2-4-14-26-16;1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17/h1-14,21H,23H2,(H2,24,29);2-12H,1H3
InChIKeySUVZWUYBYYQOGI-UHFFFAOYSA-N
MW599.74 g/mol
LogP7.78
Rot. Bonds6

About N'-[amino-(6-pyridin-2-yl-2-pyridinyl)methyl]-6-pyridin-2-ylpyridine-2-carboximidamide;2-(4-methylphenyl)naphthalene

N'-[amino-(6-pyridin-2-yl-2-pyridinyl)methyl]-6-pyridin-2-ylpyridine-2-carboximidamide;2-(4-methylphenyl)naphthalene (PubChem CID 143633863) has the molecular formula C39H33N7 and a molecular weight of 599.74 g/mol. Its IUPAC name is N'-[amino-(6-pyridin-2-yl-2-pyridinyl)methyl]-6-pyridin-2-ylpyridine-2-carboximidamide;2-(4-methylphenyl)naphthalene.

Molecular Properties

Compound NameN'-[amino-(6-pyridin-2-yl-2-pyridinyl)methyl]-6-pyridin-2-ylpyridine-2-carboximidamide;2-(4-methylphenyl)naphthalene
PubChem CID143633863
Molecular FormulaC39H33N7
Molecular Weight599.74 g/mol
Exact Mass599.28
IUPAC NameN'-[amino-(6-pyridin-2-yl-2-pyridinyl)methyl]-6-pyridin-2-ylpyridine-2-carboximidamide;2-(4-methylphenyl)naphthalene
SMILESCc1ccc(-c2ccc3ccccc3c2)cc1.N/C(=N\C(N)c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1
InChIInChI=1S/C22H19N7.C17H14/c23-21(19-11-5-9-17(27-19)15-7-1-3-13-25-15)29-22(24)20-12-6-10-18(28-20)16-8-2-4-14-26-16;1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17/h1-14,21H,23H2,(H2,24,29);2-12H,1H3
InChIKeySUVZWUYBYYQOGI-UHFFFAOYSA-N
XLogP7.78
TPSA115.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 57.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-[6-[(Z)-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]carbamimidoyl]-2-pyridinyl]methylidene]amino]-2-N'-[(Z)-[amino-(6-pyridin-2-yl-2-pyridinyl)methylidene]amino]pyridine-2,6-dicarboximidamide
CID 139045239
2-(4-naphthalen-2-ylphenyl)-4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazine
CID 59273746
(NZ)-N-[(4-methylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 137283196
6-pyridin-2-ylpyridine-2-carboxamide
CID 12055775
boric acid;2-naphthalen-2-ylpyridine
CID 175005821
6-pyridin-2-ylpyridine-2-carbothioamide
CID 3034633
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
cadmium(2+);6-pyridin-2-ylpyridine-2-carbothioamide
CID 20842770
2-[3-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-6-pyridin-2-ylpyridine
CID 58876057
chloroplatinum(1+);4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;chloride
CID 165430889
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
5-[2-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-pyridin-2-ylpyridine
CID 88554780

Frequently Asked Questions

What is the IUPAC name of N'-[amino-(6-pyridin-2-yl-2-pyridinyl)methyl]-6-pyridin-2-ylpyridine-2-carboximidamide;2-(4-methylphenyl)naphthalene?
The IUPAC name of N'-[amino-(6-pyridin-2-yl-2-pyridinyl)methyl]-6-pyridin-2-ylpyridine-2-carboximidamide;2-(4-methylphenyl)naphthalene (CID 143633863) is N'-[amino-(6-pyridin-2-yl-2-pyridinyl)methyl]-6-pyridin-2-ylpyridine-2-carboximidamide;2-(4-methylphenyl)naphthalene.
What is the SMILES notation for N'-[amino-(6-pyridin-2-yl-2-pyridinyl)methyl]-6-pyridin-2-ylpyridine-2-carboximidamide;2-(4-methylphenyl)naphthalene?
The canonical SMILES for N'-[amino-(6-pyridin-2-yl-2-pyridinyl)methyl]-6-pyridin-2-ylpyridine-2-carboximidamide;2-(4-methylphenyl)naphthalene is Cc1ccc(-c2ccc3ccccc3c2)cc1.N/C(=N\C(N)c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.
What is the InChIKey of N'-[amino-(6-pyridin-2-yl-2-pyridinyl)methyl]-6-pyridin-2-ylpyridine-2-carboximidamide;2-(4-methylphenyl)naphthalene?
The InChIKey is SUVZWUYBYYQOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7.C17H14/c23-21(19-11-5-9-17(27-19)15-7-1-3-13-25-15)29-22(24)20-12-6-10-18(28-20)16-8-2-4-14-26-16;1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17/h1-14,21H,23H2,(H2,24,29);2-12H,1H3.
What are the key properties of N'-[amino-(6-pyridin-2-yl-2-pyridinyl)methyl]-6-pyridin-2-ylpyridine-2-carboximidamide;2-(4-methylphenyl)naphthalene?
N'-[amino-(6-pyridin-2-yl-2-pyridinyl)methyl]-6-pyridin-2-ylpyridine-2-carboximidamide;2-(4-methylphenyl)naphthalene has a molecular weight of 599.74 g/mol, XLogP of 7.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino-(6-pyridin-2-yl-2-pyridinyl)methyl]-6-pyridin-2-ylpyridine-2-carboximidamide;2-(4-methylphenyl)naphthalene is sourced from PubChem (CID 143633863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).