2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride

C25H25Cl2N7O2 — CID 131876063

IUPAC2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(C2=NCCN2)cc1)c1cccc(C(=O)Nc2ccc(C3=NCCN3)cc2)n1
InChIInChI=1S/C25H23N7O2.2ClH/c33-24(30-18-8-4-16(5-9-18)22-26-12-13-27-22)20-2-1-3-21(32-20)25(34)31-19-10-6-17(7-11-19)23-28-14-15-29-23;;/h1-11H,12-15H2,(H,26,27)(H,28,29)(H,30,33)(H,31,34);2*1H
InChIKeySHIPWEXDDWBKSB-UHFFFAOYSA-N
MW526.43 g/mol
LogP3.13
Rot. Bonds6

About 2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride

2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride (PubChem CID 131876063) has the molecular formula C25H25Cl2N7O2 and a molecular weight of 526.43 g/mol. Its IUPAC name is 2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride.

Molecular Properties

Compound Name2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride
PubChem CID131876063
Molecular FormulaC25H25Cl2N7O2
Molecular Weight526.43 g/mol
Exact Mass525.14
IUPAC Name2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(C2=NCCN2)cc1)c1cccc(C(=O)Nc2ccc(C3=NCCN3)cc2)n1
InChIInChI=1S/C25H23N7O2.2ClH/c33-24(30-18-8-4-16(5-9-18)22-26-12-13-27-22)20-2-1-3-21(32-20)25(34)31-19-10-6-17(7-11-19)23-28-14-15-29-23;;/h1-11H,12-15H2,(H,26,27)(H,28,29)(H,30,33)(H,31,34);2*1H
InChIKeySHIPWEXDDWBKSB-UHFFFAOYSA-N
XLogP3.13
TPSA119.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.43
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide
CID 3036997
2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 131880616
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide;hydrochloride
CID 44531278
1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide;methanesulfonic acid
CID 76853602
1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride
CID 131876826
5-amino-1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide;dihydrochloride
CID 131880619
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;methanesulfonic acid
CID 76853603
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-methylpyrazole-4-carboxamide
CID 110461808
2-bromo-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 131876062
2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide
CID 110460893
N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]but-2-enediamide;dihydrochloride
CID 131880365
1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[9-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]nonyl]urea;hydrochloride
CID 54601394

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride?
The IUPAC name of 2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride (CID 131876063) is 2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride.
What is the SMILES notation for 2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride?
The canonical SMILES for 2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(C2=NCCN2)cc1)c1cccc(C(=O)Nc2ccc(C3=NCCN3)cc2)n1.
What is the InChIKey of 2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride?
The InChIKey is SHIPWEXDDWBKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2.2ClH/c33-24(30-18-8-4-16(5-9-18)22-26-12-13-27-22)20-2-1-3-21(32-20)25(34)31-19-10-6-17(7-11-19)23-28-14-15-29-23;;/h1-11H,12-15H2,(H,26,27)(H,28,29)(H,30,33)(H,31,34);2*1H.
What are the key properties of 2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride?
2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride has a molecular weight of 526.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride is sourced from PubChem (CID 131876063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).