sodium;amino(hydroxy)azanide;N-[4-(7-amino-1H-indol-3-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide;methane

C42H45N10NaO5S — CID 163442469

IUPACsodium;amino(hydroxy)azanide;N-[4-(7-amino-1H-indol-3-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide;methane
SMILESC.Cc1ccc(S(=O)(=O)n2cc(-c3ccnc(NC(=O)C4CC4)c3)c3cccc(N)c32)cc1.N[N-]O.Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12.[Na+]
InChIInChI=1S/C24H22N4O3S.C17H16N4O.CH4.H3N2O.Na/c1-15-5-9-18(10-6-15)32(30,31)28-14-20(19-3-2-4-21(25)23(19)28)17-11-12-26-22(13-17)27-24(29)16-7-8-16;18-14-3-1-2-12-13(9-20-16(12)14)11-6-7-19-15(8-11)21-17(22)10-4-5-10;;1-2-3;/h2-6,9-14,16H,7-8,25H2,1H3,(H,26,27,29);1-3,6-10,20H,4-5,18H2,(H,19,21,22);1H4;3H,1H2;/q;;;-1;+1
InChIKeyAZRKJEIOLUSJMZ-UHFFFAOYSA-N
MW824.94 g/mol
LogP4.60
Rot. Bonds8

About sodium;amino(hydroxy)azanide;N-[4-(7-amino-1H-indol-3-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide;methane

sodium;amino(hydroxy)azanide;N-[4-(7-amino-1H-indol-3-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide;methane (PubChem CID 163442469) has the molecular formula C42H45N10NaO5S and a molecular weight of 824.94 g/mol. Its IUPAC name is sodium;amino(hydroxy)azanide;N-[4-(7-amino-1H-indol-3-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide;methane.

Molecular Properties

Compound Namesodium;amino(hydroxy)azanide;N-[4-(7-amino-1H-indol-3-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide;methane
PubChem CID163442469
Molecular FormulaC42H45N10NaO5S
Molecular Weight824.94 g/mol
Exact Mass824.32
IUPAC Namesodium;amino(hydroxy)azanide;N-[4-(7-amino-1H-indol-3-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide;methane
SMILESC.Cc1ccc(S(=O)(=O)n2cc(-c3ccnc(NC(=O)C4CC4)c3)c3cccc(N)c32)cc1.N[N-]O.Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12.[Na+]
InChIInChI=1S/C24H22N4O3S.C17H16N4O.CH4.H3N2O.Na/c1-15-5-9-18(10-6-15)32(30,31)28-14-20(19-3-2-4-21(25)23(19)28)17-11-12-26-22(13-17)27-24(29)16-7-8-16;18-14-3-1-2-12-13(9-20-16(12)14)11-6-7-19-15(8-11)21-17(22)10-4-5-10;;1-2-3;/h2-6,9-14,16H,7-8,25H2,1H3,(H,26,27,29);1-3,6-10,20H,4-5,18H2,(H,19,21,22);1H4;3H,1H2;/q;;;-1;+1
InChIKeyAZRKJEIOLUSJMZ-UHFFFAOYSA-N
XLogP4.60
TPSA251.23 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500824.94
LogP ≤ 54.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 sodium;amino(hydroxy)azanide;N-[4-(7-amino-1H-indol-3-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide;methane?
The IUPAC name of sodium;amino(hydroxy)azanide;N-[4-(7-amino-1H-indol-3-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide;methane (CID 163442469) is sodium;amino(hydroxy)azanide;N-[4-(7-amino-1H-indol-3-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide;methane.
What is the SMILES notation for sodium;amino(hydroxy)azanide;N-[4-(7-amino-1H-indol-3-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide;methane?
The canonical SMILES for sodium;amino(hydroxy)azanide;N-[4-(7-amino-1H-indol-3-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide;methane is C.Cc1ccc(S(=O)(=O)n2cc(-c3ccnc(NC(=O)C4CC4)c3)c3cccc(N)c32)cc1.N[N-]O.Nc1cccc2c(-c3ccnc(NC(=O)C4CC4)c3)c[nH]c12.[Na+].
What is the InChIKey of sodium;amino(hydroxy)azanide;N-[4-(7-amino-1H-indol-3-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide;methane?
The InChIKey is AZRKJEIOLUSJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S.C17H16N4O.CH4.H3N2O.Na/c1-15-5-9-18(10-6-15)32(30,31)28-14-20(19-3-2-4-21(25)23(19)28)17-11-12-26-22(13-17)27-24(29)16-7-8-16;18-14-3-1-2-12-13(9-20-16(12)14)11-6-7-19-15(8-11)21-17(22)10-4-5-10;;1-2-3;/h2-6,9-14,16H,7-8,25H2,1H3,(H,26,27,29);1-3,6-10,20H,4-5,18H2,(H,19,21,22);1H4;3H,1H2;/q;;;-1;+1.
What are the key properties of sodium;amino(hydroxy)azanide;N-[4-(7-amino-1H-indol-3-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide;methane?
sodium;amino(hydroxy)azanide;N-[4-(7-amino-1H-indol-3-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide;methane has a molecular weight of 824.94 g/mol, XLogP of 4.60, 8 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;amino(hydroxy)azanide;N-[4-(7-amino-1H-indol-3-yl)-2-pyridinyl]cyclopropanecarboxamide;N-[4-[7-amino-1-(4-methylphenyl)sulfonylindol-3-yl]-2-pyridinyl]cyclopropanecarboxamide;methane is sourced from PubChem (CID 163442469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).