N-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C28H35N5O3Si — CID 149238261

IUPACN-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCC1(C)CN(C(=O)CCC[Si](C)(C)O)c2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21
InChIInChI=1S/C28H35N5O3Si/c1-28(2)19-33(25(34)8-6-16-37(3,4)36)24-17-21(9-10-23(24)28)32-27(35)22-7-5-13-30-26(22)31-18-20-11-14-29-15-12-20/h5,7,9-15,17,36H,6,8,16,18-19H2,1-4H3,(H,30,31)(H,32,35)
InChIKeyXLQSILCVFLQNSM-UHFFFAOYSA-N
MW517.71 g/mol
LogP4.94
Rot. Bonds9

About N-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 149238261) has the molecular formula C28H35N5O3Si and a molecular weight of 517.71 g/mol. Its IUPAC name is N-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID149238261
Molecular FormulaC28H35N5O3Si
Molecular Weight517.71 g/mol
Exact Mass517.25
IUPAC NameN-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCC1(C)CN(C(=O)CCC[Si](C)(C)O)c2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21
InChIInChI=1S/C28H35N5O3Si/c1-28(2)19-33(25(34)8-6-16-37(3,4)36)24-17-21(9-10-23(24)28)32-27(35)22-7-5-13-30-26(22)31-18-20-11-14-29-15-12-20/h5,7,9-15,17,36H,6,8,16,18-19H2,1-4H3,(H,30,31)(H,32,35)
InChIKeyXLQSILCVFLQNSM-UHFFFAOYSA-N
XLogP4.94
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.71
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;N-[1-[2-[hydroxy(dimethyl)silyl]ethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 164999091
N-[3,3-dimethyl-1-(pyrrolidin-1-ylmethyl)-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10456774
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249437
N-[1-[(1R)-1-hydroxyethyl]-3,3-dimethyl-2H-indol-6-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 143447605
N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249375
[4-[[(2R)-4-amino-2-[[(2R)-2-[[(2R)-2-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]propanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]phenyl]methyl 3,3-dimethyl-6-[[2-(pyridin-4-ylmethylamino)pyridine-3-carbonyl]amino]-2H-indole-1-carboxylate
CID 170540055
N-[4-(4-hydroxybutyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10270887
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498856
N-[4-[1-(hydroxymethyl)cyclobutyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 11349748
N-[3-(fluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 70907405
N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249186
N-(4-cyclohexylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249467

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 149238261) is N-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is CC1(C)CN(C(=O)CCC[Si](C)(C)O)c2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21.
What is the InChIKey of N-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is XLQSILCVFLQNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3Si/c1-28(2)19-33(25(34)8-6-16-37(3,4)36)24-17-21(9-10-23(24)28)32-27(35)22-7-5-13-30-26(22)31-18-20-11-14-29-15-12-20/h5,7,9-15,17,36H,6,8,16,18-19H2,1-4H3,(H,30,31)(H,32,35).
What are the key properties of N-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 517.71 g/mol, XLogP of 4.94, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[hydroxy(dimethyl)silyl]butanoyl]-3,3-dimethyl-2H-indol-6-yl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 149238261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).