bis(N-(1H-indol-7-yl)-2-[4-(1H-indol-7-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);tetrakis(tetrabutylazanium);tetrachloride

C120H184Cl4N16O4 — CID 139181225

IUPACbis(N-(1H-indol-7-yl)-2-[4-(1H-indol-7-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);tetrakis(tetrabutylazanium);tetrachloride
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=C(Nc1cccc2cc[nH]c12)c1ccnc(-c2cc(C(=O)Nc3cccc4cc[nH]c34)ccn2)c1.O=C(Nc1cccc2cc[nH]c12)c1ccnc(-c2cc(C(=O)Nc3cccc4cc[nH]c34)ccn2)c1.[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/2C28H20N6O2.4C16H36N.4ClH/c2*35-27(33-21-5-1-3-17-7-13-31-25(17)21)19-9-11-29-23(15-19)24-16-20(10-12-30-24)28(36)34-22-6-2-4-18-8-14-32-26(18)22;4*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;/h2*1-16,31-32H,(H,33,35)(H,34,36);4*5-16H2,1-4H3;4*1H/q;;4*+1;;;;/p-4
InChIKeyAQDDHRLSEVJLCE-UHFFFAOYSA-J
MW2056.71 g/mol
LogP19.25
Rot. Bonds58

About bis(N-(1H-indol-7-yl)-2-[4-(1H-indol-7-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);tetrakis(tetrabutylazanium);tetrachloride

bis(N-(1H-indol-7-yl)-2-[4-(1H-indol-7-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);tetrakis(tetrabutylazanium);tetrachloride (PubChem CID 139181225) has the molecular formula C120H184Cl4N16O4 and a molecular weight of 2056.71 g/mol. Its IUPAC name is bis(N-(1H-indol-7-yl)-2-[4-(1H-indol-7-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);tetrakis(tetrabutylazanium);tetrachloride.

Molecular Properties

Compound Namebis(N-(1H-indol-7-yl)-2-[4-(1H-indol-7-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);tetrakis(tetrabutylazanium);tetrachloride
PubChem CID139181225
Molecular FormulaC120H184Cl4N16O4
Molecular Weight2056.71 g/mol
Exact Mass2053.34
IUPAC Namebis(N-(1H-indol-7-yl)-2-[4-(1H-indol-7-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);tetrakis(tetrabutylazanium);tetrachloride
SMILESCCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=C(Nc1cccc2cc[nH]c12)c1ccnc(-c2cc(C(=O)Nc3cccc4cc[nH]c34)ccn2)c1.O=C(Nc1cccc2cc[nH]c12)c1ccnc(-c2cc(C(=O)Nc3cccc4cc[nH]c34)ccn2)c1.[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/2C28H20N6O2.4C16H36N.4ClH/c2*35-27(33-21-5-1-3-17-7-13-31-25(17)21)19-9-11-29-23(15-19)24-16-20(10-12-30-24)28(36)34-22-6-2-4-18-8-14-32-26(18)22;4*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;/h2*1-16,31-32H,(H,33,35)(H,34,36);4*5-16H2,1-4H3;4*1H/q;;4*+1;;;;/p-4
InChIKeyAQDDHRLSEVJLCE-UHFFFAOYSA-J
XLogP19.25
TPSA231.12 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds58
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002056.71
LogP ≤ 519.25
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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N-[2-(butylamino)ethyl]-2-[4-[2-(butylamino)ethylcarbamoyl]-2-pyridinyl]pyridine-4-carboxamide
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1-(1H-indol-7-yl)-3-[4-(1H-indol-7-ylcarbamoylamino)butyl]urea
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N-propyl-2-[4-(propylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 57050532
N-quinolin-8-yl-1H-indole-5-carboxamide
CID 110694998
2-(methylamino)-N-naphthalen-1-ylpyridine-4-carboxamide
CID 62185750
2-hydrazinyl-N-naphthalen-1-ylpyridine-4-carboxamide
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CID 143859417
2-methyl-N-(1-oxo-2H-isoquinolin-5-yl)pyridine-4-carboxamide
CID 167952573

Frequently Asked Questions

What is the IUPAC name of bis(N-(1H-indol-7-yl)-2-[4-(1H-indol-7-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);tetrakis(tetrabutylazanium);tetrachloride?
The IUPAC name of bis(N-(1H-indol-7-yl)-2-[4-(1H-indol-7-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);tetrakis(tetrabutylazanium);tetrachloride (CID 139181225) is bis(N-(1H-indol-7-yl)-2-[4-(1H-indol-7-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);tetrakis(tetrabutylazanium);tetrachloride.
What is the SMILES notation for bis(N-(1H-indol-7-yl)-2-[4-(1H-indol-7-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);tetrakis(tetrabutylazanium);tetrachloride?
The canonical SMILES for bis(N-(1H-indol-7-yl)-2-[4-(1H-indol-7-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);tetrakis(tetrabutylazanium);tetrachloride is CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=C(Nc1cccc2cc[nH]c12)c1ccnc(-c2cc(C(=O)Nc3cccc4cc[nH]c34)ccn2)c1.O=C(Nc1cccc2cc[nH]c12)c1ccnc(-c2cc(C(=O)Nc3cccc4cc[nH]c34)ccn2)c1.[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of bis(N-(1H-indol-7-yl)-2-[4-(1H-indol-7-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);tetrakis(tetrabutylazanium);tetrachloride?
The InChIKey is AQDDHRLSEVJLCE-UHFFFAOYSA-J. The full InChI is InChI=1S/2C28H20N6O2.4C16H36N.4ClH/c2*35-27(33-21-5-1-3-17-7-13-31-25(17)21)19-9-11-29-23(15-19)24-16-20(10-12-30-24)28(36)34-22-6-2-4-18-8-14-32-26(18)22;4*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;/h2*1-16,31-32H,(H,33,35)(H,34,36);4*5-16H2,1-4H3;4*1H/q;;4*+1;;;;/p-4.
What are the key properties of bis(N-(1H-indol-7-yl)-2-[4-(1H-indol-7-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);tetrakis(tetrabutylazanium);tetrachloride?
bis(N-(1H-indol-7-yl)-2-[4-(1H-indol-7-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);tetrakis(tetrabutylazanium);tetrachloride has a molecular weight of 2056.71 g/mol, XLogP of 19.25, 58 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(1H-indol-7-yl)-2-[4-(1H-indol-7-ylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide);tetrakis(tetrabutylazanium);tetrachloride is sourced from PubChem (CID 139181225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).